data_2mex_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 2mex _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.645 ' CH2' ' HG2' ' D' ' 38' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 121.039 0.447 . . . . 10.0 111.163 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -94.59 110.01 21.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.729 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.34 136.48 5.33 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.679 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -45.97 77.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.618 0.247 . . . . 10.0 111.303 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.562 ' H ' HD22 ' A' ' 9' ' ' LEU . 1.1 pt? -67.15 -37.35 83.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.038 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -72.01 -29.37 64.13 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.888 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.92 -37.8 79.14 Favored 'General case' 0 C--O 1.227 -0.091 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.611 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.11 -37.08 77.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.394 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.2 m -68.59 -43.7 75.93 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.56 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -22.97 61.05 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.016 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -63.63 -45.8 88.6 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.309 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 20' ' ' VAL . 17.2 m-85 -71.74 -28.87 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -64.93 -40.16 94.61 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -68.67 -27.52 66.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.085 0.469 . . . . 10.0 110.291 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.83 -48.53 10.0 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.744 -0.662 . . . . 10.0 112.995 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 16' ' ' PHE . 18.4 m -101.81 31.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.87 -56.35 22.84 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.417 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -87.0 -5.67 59.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.916 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.2 tm? -70.83 -33.32 70.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.37 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -61.58 -40.83 96.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.549 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.3 p -72.57 -26.62 61.79 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.022 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -73.02 -29.57 63.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.315 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 23' ' ' LEU . 57.7 t -71.5 -43.23 72.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.621 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 p -71.18 -31.78 68.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.643 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -39.39 76.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.956 0.408 . . . . 10.0 110.471 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.33 -24.32 50.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.386 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.9 tp -72.6 -43.23 63.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.921 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.55 -31.45 68.5 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.679 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HZ1' ' HB2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -71.32 -32.43 68.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.411 179.376 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -77.96 -31.64 50.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.001 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.78 -25.62 62.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 10.0 112.123 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.22 6.08 49.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 10.0 111.577 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -127.15 133.56 25.18 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.89 -66.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.8 2.333 . . . . 10.0 111.988 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.1 p -152.01 123.85 7.99 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.032 0.444 . . . . 10.0 111.307 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 1.3 p30 -137.95 124.33 13.1 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.458 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.02 -29.3 66.19 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.758 2.305 . . . . 10.0 112.948 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.85 -50.89 18.22 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.39 -24.1 61.2 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -69.96 -43.31 71.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 10.0 110.173 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.76 -32.51 63.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.87 68.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.937 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -70.27 -33.29 71.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.14 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -62.86 -43.3 99.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.354 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.3 t -72.71 -38.76 67.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -72.64 -24.73 61.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 10.0 112.006 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.14 -37.11 64.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.833 0.349 . . . . 10.0 110.553 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.2 p -72.19 -29.27 63.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.664 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.7 -36.93 81.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.935 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -71.46 -35.4 70.86 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.557 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.69 -35.41 80.7 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.274 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.65 -32.08 67.53 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.487 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.96 -47.02 66.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.747 0.308 . . . . 10.0 110.932 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -33.42 70.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 10.0 112.066 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -77.75 -39.69 43.43 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.93 -34.17 77.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.619 0.247 . . . . 10.0 111.17 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -71.87 -43.04 66.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.7 p -71.54 -25.6 62.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.305 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -43.06 57.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.352 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.7 p -69.17 -37.79 78.36 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.55 -20.62 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 120.724 0.297 . . . . 10.0 111.327 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HB2' ' HZ1' ' A' ' 66' ' ' LYS . 4.1 ttmp? -83.64 -48.89 9.71 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.569 0.581 . . . . 10.0 112.569 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -70.13 -35.98 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.995 0.426 . . . . 10.0 111.458 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.637 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 9.9 t80 -70.5 -44.73 67.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 10.0 112.206 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -66.12 -35.67 81.11 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -52.83 63.63 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.99 0.424 . . . . 10.0 111.388 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.486 HD11 ' CB ' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -68.19 -34.82 68.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.94 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.06 -23.05 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 10.0 111.231 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.51 -33.43 66.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.035 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.25 96.18 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.272 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.491 HD13 ' HB3' ' D' ' 45' ' ' ALA . 0.6 OUTLIER -62.67 -50.47 79.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.275 -0.875 . . . . 10.0 110.589 179.603 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 HD12 HD21 ' B' ' 59' ' ' ASN . 0.4 OUTLIER -57.01 -35.33 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 114.746 -1.115 . . . . 10.0 112.303 -179.338 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -72.15 -25.03 61.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.292 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.474 HD21 ' HD3' ' C' ' 66' ' ' LYS . 20.3 t-20 -66.45 -32.67 74.19 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.816 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.849 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 78.5 m-85 -68.6 91.39 0.42 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.307 -0.86 . . . . 10.0 109.361 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.07 -0.966 . . . . 10.0 111.243 -179.33 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 111.603 -0.599 . . . . 10.0 111.603 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -45.53 78.85 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -36.61 78.87 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.432 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.42 -31.31 65.38 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.772 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.53 -37.93 86.06 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.601 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.16 -36.55 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.685 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.0 m -67.78 -47.61 68.66 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.931 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.25 62.6 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.047 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -63.22 -46.9 84.81 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.269 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.518 ' O ' HG23 ' B' ' 20' ' ' VAL . 20.7 m-85 -71.15 -29.13 64.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.589 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -64.71 -42.08 95.53 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 113.164 0.802 . . . . 10.0 113.164 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -63.45 -29.17 70.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.032 0.444 . . . . 10.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.17 -47.96 10.31 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.532 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 16' ' ' PHE . 22.4 m -101.63 31.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.835 0.35 . . . . 10.0 111.747 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.9 -47.25 87.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.524 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -93.42 -4.5 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.582 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.442 ' O ' HG22 ' B' ' 27' ' ' VAL . 34.2 tp -71.7 -29.86 65.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.621 0.248 . . . . 10.0 111.189 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.93 -41.27 95.88 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.036 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 50.2 p -73.57 -26.72 60.96 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.827 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -73.55 -31.39 63.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.357 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.442 HG22 ' O ' ' B' ' 23' ' ' LEU . 92.4 t -72.61 -40.47 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.762 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 20.2 p -71.79 -30.44 65.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.097 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -38.03 71.81 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.089 0.471 . . . . 10.0 110.111 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.23 -24.41 51.21 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.988 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 65.0 tp -72.9 -42.33 63.68 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.764 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.5 -31.6 68.76 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.411 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.599 ' HB2' ' HZ1' ' B' ' 33' ' ' LYS . 0.3 OUTLIER -71.65 -31.13 66.51 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.309 179.122 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -76.35 -34.72 58.96 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.752 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.27 -21.23 58.68 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.684 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.97 15.0 25.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.814 0.34 . . . . 10.0 111.059 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -137.68 135.58 19.21 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.868 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -62.05 -60.52 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.855 2.37 . . . . 10.0 112.016 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.2 p -157.03 125.23 5.59 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.98 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -137.2 117.84 10.73 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 10.0 112.058 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.23 -28.8 64.24 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.647 2.231 . . . . 10.0 112.557 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.17 -50.52 22.12 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.54 -21.09 61.22 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -42.01 69.61 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.68 -31.14 63.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.726 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.71 -51.16 24.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.869 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -64.45 -33.07 75.02 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.408 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.06 -46.05 89.33 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.064 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 38.8 t -70.57 -38.73 74.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.991 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -70.61 -27.43 64.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.005 -0.543 . . . . 10.0 112.012 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.23 -29.99 61.96 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -70.74 -30.65 67.23 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.935 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -73.87 -36.25 64.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.849 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -69.43 -33.08 72.43 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 61.2 t30 -70.22 -25.62 63.48 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.798 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -42.19 73.78 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.048 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.84 -49.77 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.379 -0.828 . . . . 10.0 112.162 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -30.83 67.69 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.241 0.83 . . . . 10.0 113.241 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.465 HD21 HD12 ' A' ' 76' ' ' ILE . 2.8 t30 -78.57 -61.04 2.14 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 113.855 1.057 . . . . 10.0 113.855 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.1 60.8 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 117.649 0.204 . . . . 10.0 111.277 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -66.26 -48.24 71.09 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.482 0.182 . . . . 10.0 111.196 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 91.8 p -70.93 -26.38 63.17 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.057 0.456 . . . . 10.0 111.09 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.849 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 7.1 m120 -71.52 -47.24 56.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.169 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -67.82 -40.94 83.74 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.106 0.41 . . . . 10.0 112.106 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.08 -22.19 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 120.768 0.318 . . . . 10.0 111.673 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.516 ' HB2' ' HZ1' ' B' ' 66' ' ' LYS . 4.2 ttmp? -79.26 -47.89 15.12 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.138 0.421 . . . . 10.0 112.138 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.471 HG22 ' O ' ' B' ' 63' ' ' ASN . 0.4 OUTLIER -72.61 -31.22 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -72.15 -39.18 68.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -69.08 -34.95 75.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.848 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -52.21 64.76 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.84 -29.65 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 120.78 0.324 . . . . 10.0 111.716 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -72.1 -30.92 65.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.529 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.33 -31.1 69.33 Favored 'General case' 0 N--CA 1.458 -0.063 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.334 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.74 81.8 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.652 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.7 mt -67.58 -45.17 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.771 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.63 -37.34 77.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.173 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.52 -24.02 63.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.923 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -72.58 -33.8 67.0 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.998 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.526 179.047 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.911 0.386 . . . . 10.0 110.66 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -94.73 109.43 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.537 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.35 141.53 8.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.039 -0.601 . . . . 10.0 112.079 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -46.16 75.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.744 0.307 . . . . 10.0 111.588 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.525 ' H ' HD22 ' C' ' 9' ' ' LEU . 0.6 OUTLIER -69.63 -35.09 74.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.623 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.33 -31.57 65.77 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.78 -38.02 82.84 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.225 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.41 HG11 HG21 ' C' ' 64' ' ' THR . 50.6 t -67.21 -39.16 82.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.871 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -67.59 -45.74 74.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.091 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.89 -23.48 62.3 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.399 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.32 -35.96 76.47 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.332 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . 0.435 ' O ' HG23 ' C' ' 20' ' ' VAL . 20.8 m-85 -75.26 -29.0 60.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.465 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -64.98 -38.98 92.76 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.106 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -66.43 -31.54 72.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.951 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.85 -43.22 23.31 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.856 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.435 HG23 ' O ' ' C' ' 16' ' ' PHE . 28.1 m -101.53 31.3 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 111.949 0.352 . . . . 10.0 111.949 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -60.9 -56.43 21.22 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.507 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -89.56 -5.19 57.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.051 0.453 . . . . 10.0 111.008 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.405 ' O ' HG22 ' C' ' 27' ' ' VAL . 3.2 tm? -70.67 -33.91 71.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.251 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -61.77 -41.58 97.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.461 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 38.8 p -71.75 -26.33 62.41 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.083 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -72.98 -29.14 62.83 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.264 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . 0.405 HG22 ' O ' ' C' ' 23' ' ' LEU . 58.6 t -71.2 -44.13 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.451 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 19.3 p -70.88 -31.71 68.46 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.606 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -40.37 76.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.915 0.388 . . . . 10.0 110.637 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.11 -24.47 51.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.197 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.09 -44.29 65.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.756 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 -30.94 67.78 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.84 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . 0.505 ' HZ1' ' HB2' ' C' ' 33' ' ' LYS . 0.5 OUTLIER -67.19 -40.32 86.49 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.864 179.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -77.13 -31.67 55.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.84 -34.17 72.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 10.0 112.242 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.48 23.65 13.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.682 0.623 . . . . 10.0 112.682 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -130.65 119.78 18.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.38 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -49.09 -68.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.413 2.742 . . . . 10.0 113.226 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 20.6 p -151.9 124.35 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.145 0.498 . . . . 10.0 112.083 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.44 117.83 9.66 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.173 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.35 -28.47 63.2 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.683 2.255 . . . . 10.0 112.498 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.12 -48.86 21.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.357 0.503 . . . . 10.0 112.357 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.65 -21.72 61.05 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -42.57 70.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.164 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.68 -30.18 62.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.879 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.42 -45.41 62.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.051 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -70.9 -33.16 70.27 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.214 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.33 -46.59 89.62 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.146 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 34.1 t -69.98 -38.95 76.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -72.48 -26.21 61.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 10.0 112.265 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -42.91 74.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.769 0.319 . . . . 10.0 111.012 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -74.23 -28.63 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.551 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.68 -36.5 78.9 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . 0.453 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 47.5 t80 -74.92 -36.23 62.17 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.331 177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -63.24 -43.41 98.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.146 -0.934 . . . . 10.0 111.072 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.81 -33.89 74.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.427 0.528 . . . . 10.0 112.427 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . 0.406 ' HH ' ' NH1' ' C' ' 58' ' ' ARG . 0.4 OUTLIER -68.62 -47.65 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 10.0 111.284 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.503 ' NH1' ' HA ' ' D' ' 42' ' ' ALA . 0.5 OUTLIER -69.17 -37.07 77.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.938 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' C' ' 63' ' ' ASN . 50.5 t30 -72.46 -25.2 61.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.513 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.29 -30.75 62.23 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.719 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -72.72 -44.71 61.34 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.993 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' SER . . . . . 0.526 ' HA ' HE22 ' D' ' 48' ' ' GLN . 37.2 p -70.78 -23.65 62.44 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' C' ' 59' ' ' ASN . 0.5 OUTLIER -75.95 -50.83 13.85 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.628 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' THR . . . . . 0.41 HG21 HG11 ' C' ' 12' ' ' VAL . 18.3 p -64.4 -37.83 88.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.908 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.32 -20.88 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.604 -0.271 . . . . 10.0 110.879 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . 0.474 ' HD3' HD21 ' A' ' 78' ' ' ASN . 2.2 ttpm? -82.4 -48.49 11.07 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.2 0.445 . . . . 10.0 112.2 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 18.0 m -71.93 -35.74 55.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -74.01 -34.66 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.226 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.77 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 0.1 OUTLIER -72.63 -35.88 67.91 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.598 0.592 . . . . 10.0 112.598 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -48.96 76.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.69 0.281 . . . . 10.0 111.351 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 15.2 tt -69.11 -36.74 74.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.765 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -71.12 -27.47 63.61 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.338 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.78 79.81 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.51 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.46 73.65 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.895 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 71.1 mt -71.34 -46.38 65.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.569 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.99 -30.12 48.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -76.26 -21.92 55.74 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.093 0.473 . . . . 10.0 109.927 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.246 178.026 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.844 0.354 . . . . 10.0 110.574 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.87 62.48 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.331 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -66.78 -39.7 87.91 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.571 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . 0.415 ' O ' HG23 ' D' ' 20' ' ' VAL . 23.7 m-85 -75.97 -31.9 59.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.764 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.14 -39.51 94.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.747 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.3 m -74.77 -30.79 61.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.27 -52.15 18.95 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.905 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . 0.415 HG23 ' O ' ' D' ' 16' ' ' PHE . 29.0 m -99.47 32.28 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.822 0.344 . . . . 10.0 111.888 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.31 -53.73 54.88 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.632 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -85.24 -8.96 58.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.466 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -71.39 -30.27 65.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.975 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -62.1 -41.08 97.84 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.051 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 61.2 p -73.58 -26.64 60.91 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.933 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -73.83 -30.4 62.67 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.28 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.34 -41.97 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.777 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -72.09 -28.27 63.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.545 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -39.54 66.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.952 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.14 -25.99 52.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.464 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 tp -71.61 -41.95 68.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.774 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.13 -31.01 67.2 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.433 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -69.48 -38.53 77.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.368 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.75 -25.5 61.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.96 -0.563 . . . . 10.0 111.384 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.06 -48.02 71.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.42 20.86 8.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.748 1.018 . . . . 10.0 113.748 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -138.82 100.51 8.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . 0.645 ' HG2' ' CH2' ' A' ' 5' ' ' TRP . 73.5 Cg_exo -52.58 -76.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.08 2.52 . . . . 10.0 113.767 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -103.67 124.45 48.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.664 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.1 OUTLIER -136.57 119.89 12.13 Favored Pre-proline 0 N--CA 1.448 -0.549 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.637 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 34.5 Cg_endo -66.88 -44.04 6.06 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.201 1.934 . . . . 10.0 110.424 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.503 ' HA ' ' NH1' ' C' ' 58' ' ' ARG . . . -77.75 -56.82 4.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.698 -1.137 . . . . 10.0 113.876 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.4 -39.91 95.79 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.915 1.08 . . . . 10.0 113.915 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -69.78 -38.39 76.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . 0.491 ' HB3' HD13 ' A' ' 75' ' ' ILE . . . -73.69 -36.38 65.27 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.801 0.334 . . . . 10.0 111.216 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.56 82.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.895 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -69.91 -32.14 70.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.147 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . 0.526 HE22 ' HA ' ' C' ' 62' ' ' SER . 13.1 tt0 -57.8 -47.48 82.45 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.829 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -74.54 -38.62 62.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 10.0 112.114 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -71.87 -29.01 63.92 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tt -74.62 -37.17 62.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.535 0.207 . . . . 10.0 110.53 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 95.2 p -70.07 -28.04 65.11 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.97 -36.97 80.95 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -72.03 -31.38 66.12 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.526 -0.916 . . . . 10.0 108.526 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.85 -39.18 90.95 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.49 -1.232 . . . . 10.0 110.542 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' D' ' 56' ' ' LEU . 0.8 OUTLIER -75.2 -29.58 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.272 0.841 . . . . 10.0 113.272 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -63.2 -41.69 99.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.12 0.486 . . . . 10.0 110.328 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.23 -33.9 37.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.391 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -76.49 -48.14 20.53 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.31 -36.73 83.07 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.614 0.227 . . . . 10.0 111.614 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.32 -41.84 84.63 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.748 0.308 . . . . 10.0 110.684 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 99.2 p -71.51 -24.7 62.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.769 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.45 -39.93 51.96 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.507 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -68.53 -37.96 80.44 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.76 -28.05 26.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.06 0.457 . . . . 10.0 110.197 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . 0.498 ' HB2' ' HZ1' ' D' ' 66' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.452 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.409 ' HH2' ' HZ1' ' B' ' 50' ' ' LYS . 80.7 t90 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.813 0.339 . . . . 10.0 110.168 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -147.44 138.45 23.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.29 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.27 169.3 22.26 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.077 -0.809 . . . . 10.0 111.077 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -66.91 -32.35 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.007 0.403 . . . . 10.0 111.592 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.76 -33.33 62.28 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.971 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -72.49 -28.6 63.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.26 -39.93 71.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.473 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG11 HG21 ' A' ' 64' ' ' THR . 73.3 t -69.32 -35.43 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.501 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 m -66.83 -47.76 71.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.034 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -22.99 63.9 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.462 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -64.77 -48.53 74.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.129 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -77.44 -27.97 52.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.656 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -63.5 -50.65 68.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 m -71.95 -23.3 61.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.128 0.489 . . . . 10.0 109.876 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.73 -49.38 43.35 Favored Glycine 0 C--N 1.335 0.503 0 CA-C-N 115.545 -0.752 . . . . 10.0 113.068 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -111.42 32.12 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -59.12 -47.58 84.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.76 0.314 . . . . 10.0 111.693 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -94.18 2.62 55.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.962 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' O ' HG22 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -69.2 -40.97 77.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.249 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -58.81 -36.2 74.1 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.104 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -72.93 -27.94 62.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.682 0.277 . . . . 10.0 110.824 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.59 -27.17 60.36 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.765 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 23' ' ' LEU . 46.2 t -68.74 -46.33 79.75 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.365 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -71.37 -25.37 62.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.919 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.27 -44.23 59.66 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.04 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.06 -25.71 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.262 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.84 -35.93 67.34 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.722 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.12 -39.8 82.65 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.945 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -25.75 62.57 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.2 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -31.42 63.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.199 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.97 -28.57 63.52 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.79 8.1 45.34 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.806 0.298 . . . . 10.0 111.806 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -124.6 135.88 27.16 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.563 -0.289 . . . . 10.0 111.773 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.23 -68.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.915 2.41 . . . . 10.0 111.903 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -142.18 124.21 15.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.899 0.381 . . . . 10.0 111.232 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.91 117.34 9.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.666 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.66 -33.01 56.74 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.637 2.224 . . . . 10.0 112.856 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.07 -46.97 31.17 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.29 -22.2 61.24 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.9 tp -74.15 -38.51 63.7 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.804 0.335 . . . . 10.0 110.149 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -32.8 63.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.655 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.91 -42.01 70.47 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.974 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -72.3 -33.65 67.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.859 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -41.65 91.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.129 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 48.9 m -75.3 -45.6 38.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.72 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.18 -33.11 75.23 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.101 0.778 . . . . 10.0 113.101 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 tp -73.47 -33.3 64.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.026 0.441 . . . . 10.0 110.003 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.3 m -73.84 -33.53 64.15 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.009 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 49' ' ' SER . 42.8 mt-10 -65.37 -37.43 87.01 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.182 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -68.24 -34.12 75.65 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.072 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.7 -44.64 73.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.551 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.0 -31.18 68.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.908 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -46.33 65.17 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.609 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.44 HH22 ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -67.67 -37.06 81.83 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.359 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 91.9 m-20 -71.49 -26.95 62.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.278 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.21 -32.61 63.1 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.892 0.377 . . . . 10.0 110.579 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -71.74 -47.06 56.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.884 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.44 ' HB3' HH22 ' A' ' 58' ' ' ARG . 26.7 p -71.12 -22.3 62.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.811 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 1.6 t-20 -76.44 -45.59 30.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.471 HG21 HG11 ' A' ' 12' ' ' VAL . 30.0 p -66.95 -37.81 84.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.893 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.06 -40.89 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.749 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -68.59 -48.41 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.353 0.871 . . . . 10.0 113.353 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 71' ' ' ILE . 24.4 t -68.22 -46.29 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 111.839 0.311 . . . . 10.0 111.839 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.673 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 84.7 t80 -60.63 -35.02 75.14 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.28 0.363 . . . . 10.0 111.845 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -35.47 74.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.647 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -69.92 -32.45 70.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.536 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -67.46 -54.87 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 CA-C-O 121.112 0.482 . . . . 10.0 110.133 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -29.95 68.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.898 -1.046 . . . . 10.0 113.255 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.35 -27.69 47.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.656 0.265 . . . . 10.0 111.443 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.0 -39.91 65.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.551 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.07 -38.28 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.275 0.559 . . . . 10.0 110.618 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.956 HD13 HD21 ' D' ' 44' ' ' LEU . 0.1 OUTLIER -63.53 -36.48 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.176 -0.92 . . . . 10.0 111.686 -179.375 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -84.41 -20.58 31.63 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.765 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.41 -17.41 60.19 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.524 ' CZ ' HD22 ' D' ' 51' ' ' LEU . 7.1 t80 -88.3 123.23 32.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.124 -0.943 . . . . 10.0 108.844 177.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.041 -0.98 . . . . 10.0 111.609 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 111.927 -0.469 . . . . 10.0 111.927 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . 0.507 ' O ' HG22 ' B' ' 12' ' ' VAL . 62.4 m-85 -67.0 -36.14 81.51 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.794 0.294 . . . . 10.0 111.794 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -34.74 63.53 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.015 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -71.88 -28.11 63.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.297 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.06 -41.45 74.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.943 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.507 HG22 ' O ' ' B' ' 8' ' ' TYR . 34.4 t -65.09 -36.2 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.974 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -64.28 -53.59 46.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.137 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 -23.01 64.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.216 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' D' ' 32' ' ' ASP . 3.2 tptt -62.88 -54.07 44.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.615 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -73.61 -27.89 61.52 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.587 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -62.05 -52.84 62.33 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.804 1.039 . . . . 10.0 113.804 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -65.69 -23.14 66.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.222 0.534 . . . . 10.0 110.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.6 -52.77 11.36 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 115.484 -0.78 . . . . 10.0 114.851 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 m -108.86 31.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 111.878 0.325 . . . . 10.0 111.878 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.95 -48.18 82.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.956 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -92.28 -0.21 57.41 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.297 0.48 . . . . 10.0 112.297 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.502 ' O ' HG22 ' B' ' 27' ' ' VAL . 31.3 tp -70.03 -29.67 66.77 Favored 'General case' 0 C--O 1.228 -0.071 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.943 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.61 -35.74 81.69 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.976 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.4 p -72.71 -26.63 61.66 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.261 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.42 -26.91 60.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.753 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.502 HG22 ' O ' ' B' ' 23' ' ' LEU . 29.0 t -69.92 -45.73 75.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.358 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 32.6 p -70.84 -27.96 64.24 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.75 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.57 -43.17 63.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.035 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.13 -26.32 61.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -73.04 -36.29 66.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.822 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.84 -39.46 79.93 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.815 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -27.65 63.61 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.152 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 66.0 tp -74.36 -33.6 63.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.011 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.77 59.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.603 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.67 5.92 43.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.507 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -124.69 139.62 33.69 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.305 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.27 -56.59 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.854 2.369 . . . . 10.0 111.806 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.97 126.28 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.097 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.18 107.49 9.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.2 -34.85 43.97 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.457 2.104 . . . . 10.0 112.05 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.24 -46.19 35.34 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.991 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.48 -21.06 61.27 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.2 tp -71.85 -40.07 69.27 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.918 0.39 . . . . 10.0 110.147 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.96 -31.78 63.17 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.26 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.8 67.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.813 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -70.48 -33.53 71.34 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.644 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -64.99 -39.14 93.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.42 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 45.9 m -70.57 -47.83 58.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.044 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.409 ' HZ1' ' HH2' ' A' ' 5' ' ' TRP . 57.0 mmtt -66.72 -39.09 87.86 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.89 -44.87 79.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.151 0.5 . . . . 10.0 110.745 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.512 ' O ' HD23 ' B' ' 56' ' ' LEU . 46.4 m -71.5 -30.01 65.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.545 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -63.47 -37.03 85.72 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.981 0.419 . . . . 10.0 110.177 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -67.39 -31.79 72.24 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.169 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.41 -34.88 70.74 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.3 -0.863 . . . . 10.0 110.672 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.512 HD23 ' O ' ' B' ' 52' ' ' SER . 0.0 OUTLIER -70.38 -34.28 72.4 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.897 0.38 . . . . 10.0 110.646 179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -47.75 39.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.006 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -39.49 94.82 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.107 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -71.59 -33.59 69.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.58 85.54 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.873 0.368 . . . . 10.0 110.411 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -66.44 -43.73 84.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.766 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 66.8 p -71.79 -29.41 64.44 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.965 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -73.7 -41.76 62.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.814 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 41.3 p -69.31 -41.79 76.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 m -72.51 -27.91 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 N-CA-C 112.902 0.704 . . . . 10.0 112.902 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -75.42 -47.57 26.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.674 0.25 . . . . 10.0 111.674 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.601 ' O ' HG13 ' B' ' 71' ' ' ILE . 38.1 t -66.33 -50.64 66.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.736 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . 0.638 ' HA ' HD13 ' B' ' 71' ' ' ILE . 52.8 t80 -57.78 -35.56 70.96 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 24.1 mmtm -69.07 -35.12 76.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.649 -0.25 . . . . 10.0 111.615 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.48 -29.61 59.63 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.056 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.638 HD13 ' HA ' ' B' ' 68' ' ' PHE . 57.2 mt -66.64 -52.95 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.126 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.13 -29.18 68.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.213 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.43 70.54 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.72 0.295 . . . . 10.0 110.754 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.18 -33.24 67.52 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.722 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.563 HG12 ' NH1' ' D' ' 58' ' ' ARG . 8.1 mt -70.67 -39.94 76.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.676 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.7 -38.63 76.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.262 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -76.39 -24.27 54.08 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.556 HD21 ' HB2' ' D' ' 62' ' ' SER . 5.8 m-20 -82.44 -20.29 37.25 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.368 . . . . 10.0 110.849 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.583 179.251 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 32.4 t90 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.943 0.401 . . . . 10.0 110.666 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -145.98 137.68 24.99 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.656 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.97 177.91 19.87 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.84 -0.695 . . . . 10.0 112.076 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -67.29 -33.12 74.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.712 0.292 . . . . 10.0 111.452 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -34.4 62.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.894 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -72.16 -30.01 64.59 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.404 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.45 -39.18 71.16 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.81 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 84.9 t -71.3 -37.32 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.95 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 68.5 m -66.18 -48.67 69.94 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.029 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.01 65.57 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.678 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -66.02 -45.77 80.29 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.567 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . 0.441 ' O ' HG23 ' C' ' 20' ' ' VAL . 36.5 m-85 -77.75 -28.94 50.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.862 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -64.88 -43.14 93.9 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.328 0.492 . . . . 10.0 112.328 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -77.13 -25.1 51.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.352 . . . . 10.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.57 -42.45 55.16 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.042 -0.599 . . . . 10.0 112.961 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 16' ' ' PHE . 34.8 m -110.33 30.55 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.25 -49.49 77.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.322 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -97.72 4.09 50.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.588 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.29 -39.85 74.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.52 -34.48 75.6 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.827 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 42.6 p -73.08 -27.34 61.66 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.579 -0.282 . . . . 10.0 110.715 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -75.85 -25.43 56.2 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.642 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.42 -46.68 75.86 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.051 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.396 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 24.7 p -70.68 -25.46 62.99 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.342 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.63 -44.83 61.4 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.229 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.46 60.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.96 0.41 . . . . 10.0 110.774 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . 0.56 HD12 ' HH ' ' C' ' 47' ' ' TYR . 60.3 tp -72.83 -36.88 67.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.812 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.63 -34.1 73.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.16 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 0.1 OUTLIER -70.77 -41.65 71.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.312 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -26.38 62.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.359 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.5 -35.12 69.81 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.526 0.565 . . . . 10.0 112.526 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.39 24.49 8.66 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 0.2 OUTLIER -115.13 127.86 26.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.0 178.607 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.21 -74.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.452 2.768 . . . . 10.0 113.897 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 58.4 m -147.92 125.81 11.98 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.476 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . 0.571 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 1.9 m-20 -133.02 110.05 12.92 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.753 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -64.24 -34.54 55.87 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.248 1.966 . . . . 10.0 111.503 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -43.05 52.28 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.752 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.8 mm? -72.38 -24.09 61.21 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 35.3 tp -72.82 -38.73 67.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.853 0.359 . . . . 10.0 110.583 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.85 -32.57 63.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.762 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.78 -36.86 65.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.331 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . 0.56 ' HH ' HD12 ' C' ' 31' ' ' LEU . 68.0 t80 -72.53 -40.63 66.6 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -68.24 -33.05 73.69 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 68.7 m -76.52 -42.8 41.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.3 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.96 -31.57 69.36 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 51.3 tp -75.21 -34.17 61.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.328 . . . . 10.0 110.606 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 69.6 m -73.38 -31.09 63.71 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.95 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -63.2 -36.22 82.9 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.624 -0.88 . . . . 10.0 108.624 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . 0.405 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 70.9 t80 -67.75 -38.23 83.19 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.547 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.83 -44.2 81.74 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.414 -0.812 . . . . 10.0 111.652 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -73.68 -38.43 64.91 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.2 0.815 . . . . 10.0 113.2 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -43.06 91.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.184 0.516 . . . . 10.0 110.376 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.414 HH11 ' HB3' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -70.61 -45.26 65.59 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.393 -0.821 . . . . 10.0 111.911 -178.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' C' ' 63' ' ' ASN . 79.3 m-20 -65.06 -23.16 67.1 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.588 0.232 . . . . 10.0 111.193 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.3 58.55 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.285 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . 0.52 ' O ' HG22 ' C' ' 65' ' ' VAL . 18.5 mm-40 -67.59 -50.2 59.43 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.426 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 11.0 p -67.74 -26.37 66.1 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.214 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' C' ' 59' ' ' ASN . 1.4 t-20 -72.25 -50.27 28.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.768 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 28.8 p -63.33 -37.27 86.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.648 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . 0.612 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 71.9 t -61.52 -62.6 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.873 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -43.9 79.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 114.472 1.286 . . . . 10.0 114.472 -178.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.02 -46.02 97.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.265 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -68.61 -34.61 76.07 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.502 -0.317 . . . . 10.0 111.733 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 11.3 mmpt? -70.75 -35.47 72.67 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.508 0.194 . . . . 10.0 111.333 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -71.22 -32.66 69.07 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.58 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 98.4 mt -70.44 -46.45 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.143 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -30.46 70.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.327 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.99 -27.8 49.12 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.471 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.13 -40.26 62.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.867 0.365 . . . . 10.0 110.897 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 57.2 mt -74.64 -33.93 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.677 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 3.3 tp -70.0 -32.32 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.031 -0.531 . . . . 10.0 112.248 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -83.54 -21.28 32.75 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.844 0.354 . . . . 10.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--O 1.233 0.199 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.114 178.872 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.608 0.242 . . . . 10.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.59 67.67 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.325 -0.398 . . . . 10.0 112.053 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -67.94 -42.35 81.1 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.753 0.311 . . . . 10.0 111.162 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -78.16 -33.86 50.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.798 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -64.9 -50.55 66.08 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.195 0.442 . . . . 10.0 112.195 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.5 m -77.95 -23.65 48.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.923 0.392 . . . . 10.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.08 -50.57 39.2 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.927 -0.579 . . . . 10.0 113.327 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.59 33.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.97 0.414 . . . . 10.0 111.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.37 -40.15 85.58 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.679 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -91.55 -0.48 57.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.845 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.49 -33.75 71.58 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.661 -0.245 . . . . 10.0 110.856 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.7 -36.38 83.46 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.651 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 61.5 p -73.12 -26.82 61.37 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.759 0.314 . . . . 10.0 110.797 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -75.22 -27.87 59.71 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.213 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.8 t -72.4 -41.95 64.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.611 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.1 p -71.52 -24.89 62.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.565 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.23 -46.72 48.63 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.653 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.06 -30.72 68.05 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.944 0.402 . . . . 10.0 110.932 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.444 HD11 HG23 ' B' ' 12' ' ' VAL . 26.5 tp -68.36 -36.34 79.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . 0.493 ' HA ' ' HE2' ' B' ' 15' ' ' LYS . 32.1 t70 -70.03 -36.36 74.98 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.651 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -25.53 62.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.468 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.29 -24.1 66.49 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.696 0.999 . . . . 10.0 113.696 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.88 -55.65 16.05 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.71 22.87 12.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.273 0.842 . . . . 10.0 113.273 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . 0.418 ' HB3' ' OD2' ' D' ' 40' ' ' ASP . 15.5 mmtp -126.28 100.43 29.56 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 114.927 -1.033 . . . . 10.0 108.599 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -62.06 -74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.479 2.786 . . . . 10.0 113.46 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -120.35 123.88 44.17 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.709 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 6.6 m-20 -138.6 135.63 18.15 Favored Pre-proline 0 C--O 1.22 -0.483 0 N-CA-C 114.03 1.122 . . . . 10.0 114.03 -177.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.673 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 49.3 Cg_endo -71.4 -46.14 0.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.994 2.463 . . . . 10.0 111.313 176.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.24 -53.42 7.34 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-N 115.098 -0.955 . . . . 10.0 113.201 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.01 -29.63 67.39 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.956 HD21 HD13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -79.28 -33.97 42.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.923 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.66 -45.64 71.22 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.502 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.24 91.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.953 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -71.24 -33.98 70.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.985 0.365 . . . . 10.0 111.985 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -45.43 82.04 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 10.0 111.366 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 28.5 m -76.41 -40.6 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -68.37 -32.51 72.65 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . 0.524 HD22 ' CZ ' ' A' ' 79' ' ' PHE . 13.0 tp -73.76 -35.37 64.99 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.981 -0.288 . . . . 10.0 110.622 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 55.0 m -74.3 -29.86 61.82 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.464 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -68.24 -36.95 80.27 Favored 'General case' 0 N--CA 1.46 0.053 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -69.91 -31.37 69.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.987 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -64.77 -55.09 21.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.357 -0.838 . . . . 10.0 112.459 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.28 -27.22 63.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.206 0.817 . . . . 10.0 113.206 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -44.99 95.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 10.0 109.875 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . 0.616 HH22 ' HB3' ' D' ' 62' ' ' SER . 0.0 OUTLIER -75.58 -39.33 58.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.796 -179.549 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -67.05 -29.5 69.32 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.789 0.292 . . . . 10.0 111.789 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.13 -30.17 55.03 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.544 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -69.44 -48.52 60.63 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.887 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 62' ' ' SER . . . . . 0.616 ' HB3' HH22 ' D' ' 58' ' ' ARG . 39.1 p -71.32 -20.12 62.23 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.728 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -76.25 -47.03 25.32 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.279 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -64.25 -37.94 89.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.693 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 60.1 t -69.43 -34.2 61.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.475 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 tptp . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.871 -179.709 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.6 t90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.676 0.274 . . . . 10.0 110.795 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -110.33 152.57 26.05 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.93 143.37 8.88 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.703 -0.76 . . . . 10.0 113.737 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -67.4 -33.05 74.38 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.869 0.366 . . . . 10.0 110.797 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.586 ' H ' HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -65.23 -38.36 90.13 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.879 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -73.03 -28.58 62.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.907 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.64 -36.64 78.88 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.539 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 t -71.38 -37.13 63.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 120.857 0.36 . . . . 10.0 110.635 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -67.47 -42.3 83.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.497 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.51 -22.88 62.58 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.912 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -63.28 -49.32 74.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.569 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -67.48 -31.68 71.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.941 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.99 -38.42 90.9 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 m -58.62 -36.9 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 10.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.58 -37.18 35.87 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.087 -0.578 . . . . 10.0 113.172 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.36 26.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.25 -56.1 25.69 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.861 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -86.29 -8.17 57.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.274 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.44 HD11 ' HD2' ' A' ' 50' ' ' LYS . 56.9 tp -70.94 -39.2 72.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.418 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -66.43 -30.37 70.72 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.904 0.383 . . . . 10.0 110.857 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -72.86 -28.43 62.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.989 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -76.98 -24.5 52.26 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.184 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 23' ' ' LEU . 48.7 t -71.09 -45.51 71.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.112 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -72.84 -29.07 62.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.425 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -37.19 65.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.763 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.04 -24.56 52.03 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.745 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.6 tp -71.23 -44.86 64.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.374 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.97 -32.21 69.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.689 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.543 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -70.32 -38.44 74.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.174 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -26.26 62.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.208 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.59 -22.68 61.69 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.661 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.1 10.78 25.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.196 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -124.64 123.32 25.71 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.392 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.54 -68.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.929 2.42 . . . . 10.0 111.726 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 m -129.84 123.08 29.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.082 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.62 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -138.27 103.58 7.98 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.402 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -63.92 -39.25 33.83 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.366 2.044 . . . . 10.0 112.09 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.56 -42.7 51.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.207 -0.452 . . . . 10.0 112.105 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.62 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 3.3 mm? -70.56 -26.09 63.38 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.239 0.459 . . . . 10.0 112.239 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 tp -77.19 -32.6 56.19 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.681 0.277 . . . . 10.0 110.645 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.06 -37.61 78.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.898 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.44 -38.03 65.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.583 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -66.62 -42.61 86.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.45 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -68.01 -37.88 81.93 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.219 0.452 . . . . 10.0 112.219 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t -73.16 -41.63 63.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.481 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HD2' HD11 ' A' ' 23' ' ' LEU . 74.2 mmtt -74.23 -24.89 59.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.379 0.511 . . . . 10.0 112.379 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 tp -73.91 -38.27 64.38 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.889 0.376 . . . . 10.0 110.155 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.3 p -72.6 -29.48 63.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.506 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.23 -36.11 78.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.913 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.1 -34.35 77.86 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.937 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -64.9 -37.96 89.38 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.089 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.4 -30.96 67.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.558 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.89 -50.76 46.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.901 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.403 HH12 ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -69.73 -36.94 76.29 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.031 0.382 . . . . 10.0 112.031 -179.192 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.42 -37.75 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.94 76.08 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.688 0.28 . . . . 10.0 111.257 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -69.87 -43.74 71.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.301 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.403 ' HB3' HH12 ' A' ' 58' ' ' ARG . 77.0 p -71.03 -25.26 62.58 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.71 -41.3 45.76 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 p -70.25 -36.68 74.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.951 0.352 . . . . 10.0 111.951 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.74 -28.63 27.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -74.98 -47.94 26.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.822 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.5 t -64.18 -50.07 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 111.883 0.327 . . . . 10.0 111.883 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' D' ' 41' ' ' PRO . 5.8 m-85 -55.83 -34.72 65.65 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.429 0.456 . . . . 10.0 112.143 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.487 ' HE3' ' OG ' ' D' ' 39' ' ' SER . 0.1 OUTLIER -68.86 -40.64 79.19 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.578 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -66.49 -35.2 79.67 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.546 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.585 HG23 HD11 ' A' ' 75' ' ' ILE . 36.7 mt -60.5 -55.22 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.27 -33.63 73.87 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.18 -0.918 . . . . 10.0 112.789 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.45 74.87 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.9 -46.76 33.77 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.585 HD11 HG23 ' A' ' 71' ' ' ILE . 26.3 mt -59.98 -50.98 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.594 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.501 ' CD1' HD21 ' D' ' 44' ' ' LEU . 4.4 mm -57.14 -38.54 61.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -58.12 -32.13 67.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.995 -0.548 . . . . 10.0 112.128 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -91.19 -25.24 19.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.505 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.566 ' HA ' ' NE2' ' D' ' 48' ' ' GLN . 0.0 OUTLIER -73.86 154.96 39.24 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.59 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.908 ' HD3' HD12 ' D' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 C-N-CA 120.347 -0.541 . . . . 10.0 109.656 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.639 -0.184 . . . . 10.0 112.639 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -66.91 -36.49 82.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.708 0.29 . . . . 10.0 111.706 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -36.4 78.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.203 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.82 -27.52 62.97 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.883 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.73 -40.09 76.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.549 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.713 HG11 HG21 ' B' ' 64' ' ' THR . 7.4 t -67.14 -35.58 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.991 0.424 . . . . 10.0 110.871 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -69.78 -32.34 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.169 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -37.05 71.9 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.613 -0.721 . . . . 10.0 112.5 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.496 ' HZ1' ' HB3' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -68.48 -34.84 76.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.416 0.524 . . . . 10.0 112.416 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.45 -39.04 88.63 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.17 -0.923 . . . . 10.0 113.264 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 15.7 m -54.71 -35.76 64.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.921 0.391 . . . . 10.0 111.303 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.58 -45.98 12.6 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.975 -0.631 . . . . 10.0 113.521 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 35.7 m -94.6 29.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.94 0.4 . . . . 10.0 111.247 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.43 -54.44 43.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.939 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -84.78 -9.87 57.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.086 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.423 ' O ' HG22 ' B' ' 27' ' ' VAL . 37.2 tp -71.03 -34.7 71.54 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.204 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.04 -33.0 73.76 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.969 0.414 . . . . 10.0 110.795 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -72.67 -27.11 61.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.074 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -77.11 -25.95 52.73 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.217 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 23' ' ' LEU . 61.7 t -71.85 -43.69 68.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.881 0.372 . . . . 10.0 110.083 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 23.8 p -73.37 -27.71 61.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.058 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.94 -36.05 62.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.108 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.42 51.63 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.974 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.5 tp -71.7 -44.83 63.52 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.157 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.83 -31.75 68.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.485 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.539 ' HZ3' ' HB2' ' B' ' 33' ' ' LYS . 0.4 OUTLIER -71.06 -36.51 72.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.093 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -28.17 64.19 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.56 -17.63 60.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.195 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.83 6.22 29.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.3 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -121.96 130.9 24.54 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.158 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.58 -63.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.75 2.3 . . . . 10.0 111.128 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.7 m -142.77 123.72 14.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.883 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.602 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 0.3 OUTLIER -137.35 103.22 8.73 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.46 -179.733 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.04 -35.86 51.69 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.461 2.107 . . . . 10.0 112.03 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.59 -42.22 59.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.447 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.602 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.5 mm? -72.53 -22.91 60.95 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.668 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 tp -79.08 -35.76 41.9 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.665 0.269 . . . . 10.0 110.406 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.79 80.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.056 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.49 64.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.825 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -71.96 -42.4 66.62 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.191 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -68.37 -35.64 78.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.719 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 46.6 t -72.11 -42.39 66.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.206 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -79.69 -18.97 50.07 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.897 0.703 . . . . 10.0 112.897 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 45.5 tp -74.04 -40.15 63.04 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.424 -0.954 . . . . 10.0 108.424 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.6 p -74.03 -27.67 61.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.883 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.569 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 32.6 mt-10 -66.89 -36.65 82.77 Favored 'General case' 0 N--CA 1.461 0.08 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.658 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.8 -32.16 73.53 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -68.63 -36.02 78.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.193 -0.912 . . . . 10.0 110.75 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' B' ' 53' ' ' GLU . 3.8 pp -72.6 -28.59 62.88 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.638 -0.425 . . . . 10.0 111.271 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -55.63 5.99 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.995 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -38.02 89.56 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.073 0.397 . . . . 10.0 112.073 -178.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -76.85 -18.92 58.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.836 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.67 -53.48 11.64 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.86 -32.42 69.44 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.295 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 43.7 t -67.12 -43.14 83.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.057 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.483 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 81.0 m-20 -76.01 -31.09 58.74 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.713 HG21 HG11 ' B' ' 12' ' ' VAL . 2.2 m -64.27 -50.87 66.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.914 0.388 . . . . 10.0 111.256 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.01 -23.63 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.63 -0.713 . . . . 10.0 112.0 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -69.8 -50.92 38.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.014 0.746 . . . . 10.0 113.014 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -80.87 -34.14 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . 0.523 ' HA ' HD13 ' B' ' 71' ' ' ILE . 2.5 t80 -62.93 -32.43 73.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 10.0 110.013 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -73.2 -38.66 66.03 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.646 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.26 -34.62 76.53 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' B' ' 68' ' ' PHE . 48.8 mt -62.58 -43.42 98.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . 0.57 ' HA ' HD13 ' B' ' 75' ' ' ILE . 18.9 t70 -72.1 -24.08 61.43 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.331 -0.85 . . . . 10.0 112.169 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.93 98.99 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.861 0.363 . . . . 10.0 110.546 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.77 -37.0 79.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.228 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.57 HD13 ' HA ' ' B' ' 72' ' ' ASP . 95.7 mt -60.42 -51.09 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.313 -0.858 . . . . 10.0 111.828 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.19 -31.34 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -68.64 -32.54 72.48 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.832 0.308 . . . . 10.0 111.832 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -91.02 -21.04 21.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.874 0.368 . . . . 10.0 111.37 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.269 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 25.0 t90 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.952 0.406 . . . . 10.0 111.518 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -111.43 147.48 35.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.813 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.43 146.61 13.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.717 -0.754 . . . . 10.0 112.563 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -67.07 -31.33 71.76 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.927 0.343 . . . . 10.0 111.927 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.447 ' H ' HD22 ' C' ' 9' ' ' LEU . 0.6 OUTLIER -69.18 -35.1 75.92 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.383 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.23 -27.83 62.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.685 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -70.34 -38.53 74.86 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.545 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.91 -40.59 83.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.902 0.382 . . . . 10.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -64.56 -36.92 85.77 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.098 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.48 -23.41 61.03 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.127 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -62.65 -47.73 82.41 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.952 0.405 . . . . 10.0 110.192 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -70.19 -30.66 67.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.245 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -64.8 -38.5 91.21 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 10.6 m -60.45 -38.96 85.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.823 0.344 . . . . 10.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.15 -33.16 50.43 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.01 -0.615 . . . . 10.0 113.012 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 18.5 m -100.29 23.67 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.49 -55.96 28.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.636 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -89.21 -7.56 55.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.302 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' C' ' 50' ' ' LYS . 42.3 tp -70.9 -40.57 72.1 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -66.01 -29.55 69.94 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.861 0.362 . . . . 10.0 111.055 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.3 m -71.77 -30.74 65.88 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.7 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -75.8 -25.21 56.18 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.999 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 82.0 t -68.47 -47.11 78.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.321 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 23.7 p -72.91 -27.94 62.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.647 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.85 -39.11 64.23 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.096 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.83 -24.11 55.8 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.713 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . 0.406 HD12 ' HH ' ' C' ' 47' ' ' TYR . 48.0 tp -73.04 -44.23 61.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.499 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.87 -31.77 68.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.809 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . 0.464 ' HZ3' ' HB2' ' C' ' 33' ' ' LYS . 0.4 OUTLIER -68.52 -48.7 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.584 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.63 -25.69 65.86 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.495 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.78 66.0 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.92 23.76 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.771 0.656 . . . . 10.0 112.771 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -118.05 111.02 39.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.514 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.66 -65.19 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.204 2.602 . . . . 10.0 112.704 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -137.65 122.01 18.24 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.017 0.437 . . . . 10.0 110.907 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . 0.596 ' HB3' ' HB2' ' C' ' 43' ' ' LEU . 0.6 OUTLIER -139.14 101.75 7.58 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.665 179.467 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.31 -35.42 62.52 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.434 2.089 . . . . 10.0 112.114 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -40.9 57.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.539 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.596 ' HB2' ' HB3' ' C' ' 40' ' ' ASP . 3.8 mm? -72.36 -26.64 61.98 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.181 0.437 . . . . 10.0 112.181 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 tp -76.16 -34.26 59.38 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.66 0.267 . . . . 10.0 110.887 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.11 73.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.22 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.51 -33.67 64.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.855 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . 0.406 ' HH ' HD12 ' C' ' 31' ' ' LEU . 67.5 t80 -69.2 -44.11 72.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.481 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -69.33 -33.23 72.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.819 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 45.0 t -74.55 -42.03 59.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.508 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . 0.408 ' HD2' HD11 ' C' ' 23' ' ' LEU . 73.6 mmtt -75.09 -26.52 59.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.34 -37.71 63.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.702 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 94.3 p -70.24 -30.07 67.04 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.157 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.83 -35.97 79.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.771 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -64.23 -30.87 71.91 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.457 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -69.26 -42.51 75.47 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.214 -0.903 . . . . 10.0 111.616 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -29.52 64.16 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.727 0.64 . . . . 10.0 112.727 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -51.34 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 10.0 111.127 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.711 ' NH2' ' HA ' ' D' ' 45' ' ' ALA . 0.0 OUTLIER -70.37 -35.03 73.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.017 -178.324 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -69.98 -30.03 67.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.697 0.284 . . . . 10.0 110.657 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.51 73.44 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.307 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.82 -49.49 68.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.382 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' SER . . . . . 0.661 ' HB3' HH12 ' C' ' 58' ' ' ARG . 21.8 p -66.15 -25.84 67.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.661 0.267 . . . . 10.0 111.404 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -73.11 -50.43 22.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.161 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 19.9 p -65.98 -37.53 86.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.519 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . 0.533 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 25.2 t -61.72 -45.55 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.788 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -74.85 -43.1 56.31 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.1 0.778 . . . . 10.0 113.1 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.75 -56.4 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 112.188 0.44 . . . . 10.0 112.188 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -63.87 -24.52 67.77 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.704 0.288 . . . . 10.0 111.635 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' C' ' 65' ' ' VAL . 0.0 OUTLIER -72.73 -37.93 67.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 179.714 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -71.87 -38.23 70.07 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.845 0.355 . . . . 10.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.68 -47.66 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.15 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.91 -27.98 67.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.834 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.94 98.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.715 0.293 . . . . 10.0 111.314 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.09 62.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.23 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 86.7 mt -68.44 -52.82 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.048 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.8 pp -66.95 -26.1 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -70.92 -31.94 68.71 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.814 0.34 . . . . 10.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 121.09 0.472 . . . . 10.0 110.188 178.486 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.632 0.253 . . . . 10.0 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.0 64.19 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.671 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -68.09 -39.3 82.9 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.606 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.76 -33.43 68.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.274 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.82 -38.46 91.04 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.213 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -59.21 -37.55 77.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.293 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.69 -36.36 43.15 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.947 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 33.9 m -99.39 28.73 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 120.75 0.31 . . . . 10.0 111.751 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.92 -53.18 60.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.385 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -88.0 -7.87 56.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.293 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.02 -42.52 69.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.61 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -65.8 -29.82 70.36 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 5.0 m -73.62 -29.82 62.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.539 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -77.32 -24.79 50.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.155 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.44 -40.82 56.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.847 0.356 . . . . 10.0 110.11 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 18.7 p -75.96 -26.53 56.9 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.177 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -37.18 61.84 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.341 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.27 -23.83 51.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.255 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.64 -49.24 66.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.349 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.95 -31.27 67.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.063 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -36.21 76.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.402 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.423 HD21 HD13 ' D' ' 44' ' ' LEU . 0.2 OUTLIER -72.58 -26.3 61.66 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.994 0.426 . . . . 10.0 110.206 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.22 -25.67 68.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.652 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.48 24.67 9.78 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -143.69 109.2 5.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.659 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -73.79 -72.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.299 2.0 . . . . 10.0 111.796 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' SER . . . . . 0.487 ' OG ' ' HE3' ' A' ' 69' ' ' LYS . 9.6 m -83.38 123.32 29.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 8.7 m-20 -137.85 89.45 15.05 Favored Pre-proline 0 N--CA 1.452 -0.328 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.434 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 24.1 Cg_endo -65.83 -47.67 3.6 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 121.451 1.434 . . . . 10.0 111.608 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.01 -53.28 6.56 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.49 1.293 . . . . 10.0 114.49 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -33.49 70.19 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.9 OUTLIER -67.02 -29.47 69.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . 0.711 ' HA ' ' NH2' ' C' ' 58' ' ' ARG . . . -58.04 -39.35 78.17 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.499 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.57 -45.19 54.79 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.806 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -59.7 -49.94 75.79 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . 0.566 ' NE2' ' HA ' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -61.87 -46.03 91.17 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 22.6 t -72.88 -38.99 66.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -76.94 -23.17 52.42 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . 0.908 HD12 ' HD3' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -68.08 -51.11 50.24 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.424 -0.954 . . . . 10.0 108.424 177.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 52' ' ' SER . . . . . 0.446 ' N ' ' HG ' ' D' ' 51' ' ' LEU . 60.7 p -62.42 -30.33 71.15 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.771 -1.104 . . . . 10.0 110.998 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.77 -36.48 80.57 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.617 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.68 -33.2 74.59 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.311 -0.859 . . . . 10.0 109.854 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -60.58 -47.62 85.41 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.205 -0.907 . . . . 10.0 112.249 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' D' ' 56' ' ' LEU . 1.5 mm? -71.27 -28.01 63.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.565 0.95 . . . . 10.0 113.565 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -58.47 -50.95 71.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.829 0.347 . . . . 10.0 110.62 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -81.1 -36.39 30.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.434 0.901 . . . . 10.0 113.434 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.06 -51.49 31.58 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.62 -32.85 74.45 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.787 -0.188 . . . . 10.0 111.335 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -65.79 -44.63 85.18 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.596 0.236 . . . . 10.0 110.536 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 84.2 p -70.45 -25.84 63.37 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.952 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.98 -48.18 54.7 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.823 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 35.8 p -64.73 -37.15 86.61 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.843 0.682 . . . . 10.0 112.843 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.27 -38.4 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.067 0.46 . . . . 10.0 110.065 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 tptp . . . . . 0 CA--C 1.53 0.206 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.761 -179.719 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.3 t90 . . . . . 0 C--O 1.234 0.25 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 p -157.32 142.79 17.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.989 0.423 . . . . 10.0 111.702 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.21 -171.93 28.98 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.71 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -67.45 -38.04 83.87 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 117.11 0.455 . . . . 10.0 110.897 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.71 -38.61 83.83 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.079 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -72.53 -31.53 65.39 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.941 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.03 -36.84 80.59 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG23 HD21 ' C' ' 31' ' ' LEU . 86.6 t -69.3 -41.23 80.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.29 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.7 m -67.08 -40.88 87.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.024 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.92 -24.46 59.68 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.957 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.702 ' HE3' ' HA ' ' C' ' 32' ' ' ASP . 15.7 tptp -67.36 -41.57 84.87 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.327 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.416 ' O ' HG23 ' A' ' 20' ' ' VAL . 34.6 m-85 -72.13 -32.0 66.52 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.026 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -65.46 -47.5 75.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.375 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -70.63 -23.55 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.909 0.385 . . . . 10.0 110.328 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.46 -36.26 62.9 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.925 -0.58 . . . . 10.0 112.778 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.466 ' HB ' HD11 ' A' ' 23' ' ' LEU . 35.2 m -119.86 31.01 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 111.807 0.299 . . . . 10.0 111.807 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -75.14 1.53 13.05 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -114.7 -40.79 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.817 0.303 . . . . 10.0 111.817 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.6 pp -69.74 -21.61 63.44 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 112.886 0.699 . . . . 10.0 112.886 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.8 -50.39 73.44 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.864 0.364 . . . . 10.0 110.97 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 t -70.99 -27.2 63.53 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.29 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -68.15 -28.93 67.72 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.173 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 23' ' ' LEU . 51.4 t -70.02 -46.47 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.943 0.401 . . . . 10.0 109.934 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -65.17 -41.43 94.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.381 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -65.88 -38.48 88.89 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.386 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.82 -24.5 60.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.217 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.434 HD12 ' HH ' ' A' ' 47' ' ' TYR . 32.6 tp -72.92 -39.76 66.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.545 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -70.42 -37.04 74.37 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.873 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -71.56 -28.31 63.76 Favored 'General case' 0 CA--C 1.527 0.09 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.302 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -42.51 74.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.34 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.9 -16.17 60.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.153 -0.476 . . . . 10.0 112.09 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.26 0.46 43.18 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -124.45 130.77 24.2 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.545 -0.298 . . . . 10.0 111.333 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.81 -61.55 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.856 2.37 . . . . 10.0 111.58 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 p -133.66 124.78 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.126 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.489 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.4 99.3 9.72 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 -179.213 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.36 -39.02 31.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.438 2.092 . . . . 10.0 112.43 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.87 -42.84 57.14 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.195 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.8 mm? -71.61 -23.59 61.73 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.8 tp -74.74 -40.41 61.28 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.523 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.19 77.17 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.785 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.36 -41.79 66.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.751 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.434 ' HH ' HD12 ' A' ' 31' ' ' LEU . 29.9 t80 -67.47 -33.45 75.14 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.009 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.98 -48.97 79.35 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.08 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -71.64 -40.44 69.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.676 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -65.74 -35.32 80.4 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -72.91 -34.22 66.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.944 0.402 . . . . 10.0 110.515 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 m -73.8 -31.62 63.34 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.985 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -67.67 -36.85 81.48 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.867 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -68.34 -32.44 72.55 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -68.98 -43.32 75.14 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.499 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.1 -31.08 71.32 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.207 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -43.62 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.586 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -73.02 -31.49 64.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.108 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -72.61 -47.25 49.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.231 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.05 -31.22 71.6 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.373 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.552 ' O ' HG22 ' A' ' 65' ' ' VAL . 32.7 tt0 -72.31 -43.54 64.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -64.74 -28.63 69.72 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.62 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -73.65 -39.97 64.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.405 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.6 p -69.57 -37.56 77.03 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.482 0.549 . . . . 10.0 112.482 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 61' ' ' GLN . 24.8 t -68.15 -36.55 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.117 0.484 . . . . 10.0 110.401 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -70.46 -47.83 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.3 t -69.77 -46.55 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 114.269 1.211 . . . . 10.0 114.269 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.744 ' HE2' ' HB2' ' D' ' 39' ' ' SER . 79.2 t80 -57.36 -38.45 74.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.412 0.625 . . . . 10.0 110.544 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HB3' ' HE2' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -68.83 -35.07 76.51 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.195 -0.911 . . . . 10.0 110.723 178.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.88 -28.34 63.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.51 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 67' ' ' VAL . 24.2 mt -61.59 -56.67 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.609 0.718 . . . . 10.0 109.83 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.569 ' HA ' HD13 ' A' ' 75' ' ' ILE . 15.6 m-20 -65.24 -26.63 68.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.521 -1.218 . . . . 10.0 112.925 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.2 92.89 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.776 0.322 . . . . 10.0 111.022 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.64 75.46 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.181 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.569 HD13 ' HA ' ' A' ' 72' ' ' ASP . 14.9 mt -70.15 -35.39 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.469 0.652 . . . . 10.0 110.275 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.434 HD13 HD21 ' D' ' 44' ' ' LEU . 1.0 OUTLIER -62.43 -33.27 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.946 -1.025 . . . . 10.0 111.414 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -78.63 -32.1 47.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.468 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.488 ' OD1' ' HA ' ' A' ' 75' ' ' ILE . 1.9 p-10 -88.65 2.79 52.56 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.244 0.545 . . . . 10.0 109.933 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.713 ' HA ' HE21 ' D' ' 48' ' ' GLN . 2.4 t80 -56.65 -83.75 0.01 OUTLIER 'General case' 0 C--N 1.343 0.296 0 CA-C-N 114.731 -1.122 . . . . 10.0 109.573 177.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.255 -0.879 . . . . 10.0 111.098 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.165 -0.374 . . . . 10.0 112.165 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -67.14 -34.53 77.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 10.0 111.3 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.0 -39.02 72.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.303 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.63 -31.64 67.09 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.264 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.89 -36.94 81.1 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.348 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.405 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 86.9 t -67.81 -37.25 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.184 0.516 . . . . 10.0 110.25 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.3 m -70.01 -36.96 75.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.239 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.47 60.45 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.728 0.64 . . . . 10.0 112.728 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.795 ' HZ2' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -63.32 -40.05 96.25 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.795 0.331 . . . . 10.0 111.389 -179.785 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.464 ' O ' HG23 ' B' ' 20' ' ' VAL . 37.7 m-85 -75.63 -31.41 59.83 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.715 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.01 -52.5 59.24 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 112.797 0.665 . . . . 10.0 112.797 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -67.77 -22.47 65.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.356 0.598 . . . . 10.0 109.509 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.11 -44.75 53.39 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.168 -0.924 . . . . 10.0 115.179 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.568 HG13 HD21 ' B' ' 23' ' ' LEU . 22.7 m -115.44 29.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.153 0.501 . . . . 10.0 111.239 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.9 -19.19 63.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.487 -0.779 . . . . 10.0 111.912 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.6 -41.45 10.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.568 HD21 HG13 ' B' ' 20' ' ' VAL . 4.4 pp -68.71 -21.63 64.39 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 113.267 0.839 . . . . 10.0 113.267 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.67 -50.35 73.48 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.807 0.337 . . . . 10.0 111.171 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.9 t -71.56 -27.25 63.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.392 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -67.88 -30.38 69.72 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.294 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.555 HG22 ' O ' ' B' ' 23' ' ' LEU . 97.5 t -70.57 -44.65 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.98 0.419 . . . . 10.0 109.995 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -65.83 -40.02 91.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.022 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.455 ' HB3' ' HZ3' ' B' ' 33' ' ' LYS . 37.4 mt-10 -66.47 -38.72 87.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.028 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.0 -24.96 61.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.187 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.8 tp -73.03 -40.12 65.4 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.462 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -70.44 -36.57 74.03 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.716 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.455 ' HZ3' ' HB3' ' B' ' 29' ' ' GLU . 62.3 mttp -71.48 -25.21 62.18 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.08 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -44.33 69.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.58 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.84 -15.5 60.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.0 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.24 7.46 44.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.501 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -131.91 128.54 21.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.167 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -61.73 -58.82 0.35 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.914 2.409 . . . . 10.0 111.94 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.3 p -138.28 125.03 20.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.823 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.52 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -137.02 94.47 12.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.48 -35.96 46.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.393 2.062 . . . . 10.0 111.987 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.61 -43.47 47.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.1 -0.5 . . . . 10.0 112.05 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.52 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.8 mm? -71.18 -27.44 63.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.692 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -72.71 -34.96 67.46 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.948 -0.389 . . . . 10.0 109.948 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.38 87.51 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.433 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.09 -42.69 65.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.52 -33.68 76.47 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.191 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -62.92 -49.67 73.85 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.749 0.309 . . . . 10.0 111.31 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -71.63 -39.9 70.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.465 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -67.7 -34.8 77.62 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 tp -72.13 -30.54 65.15 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 71.4 m -74.4 -29.34 61.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.287 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -69.9 -36.19 75.21 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.469 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -67.19 -32.76 74.05 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -70.88 -34.08 71.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.603 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -41.38 95.41 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.651 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.05 -44.76 75.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.239 -0.891 . . . . 10.0 111.728 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -76.02 -17.61 59.6 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.145 0.794 . . . . 10.0 113.145 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.19 -63.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.17 -33.47 72.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.579 0.352 . . . . 10.0 110.8 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.469 ' O ' HG22 ' B' ' 65' ' ' VAL . 40.9 tt0 -62.48 -49.59 74.79 Favored 'General case' 0 C--O 1.226 -0.137 0 O-C-N 123.207 0.317 . . . . 10.0 111.208 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.5 m -64.71 -31.54 72.81 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.791 0.329 . . . . 10.0 110.954 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.427 ' O ' HG22 ' B' ' 67' ' ' VAL . 85.1 m-20 -70.05 -42.83 72.36 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.235 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 25.4 p -70.01 -37.79 75.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 61' ' ' GLN . 69.0 t -60.65 -37.56 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.761 0.315 . . . . 10.0 110.912 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -72.39 -41.62 66.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.562 0.578 . . . . 10.0 112.562 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.615 ' O ' HG13 ' B' ' 71' ' ' ILE . 21.6 t -62.14 -54.2 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . 0.61 ' HA ' HD13 ' B' ' 71' ' ' ILE . 67.8 t80 -58.97 -34.8 72.22 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -37.83 78.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.93 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.78 -18.9 60.4 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.287 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.615 HG13 ' O ' ' B' ' 67' ' ' VAL . 82.9 mt -68.59 -55.54 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.101 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -70.34 -20.16 63.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.826 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.66 74.39 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.852 0.358 . . . . 10.0 110.722 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.58 -36.48 78.79 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.614 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 43.7 mt -69.59 -35.83 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.415 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -28.12 43.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.553 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -76.17 -36.84 58.53 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.765 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -92.1 4.38 53.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.889 0.376 . . . . 10.0 111.175 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 17.9 t80 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.995 179.303 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 55.0 t90 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.716 0.293 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 30.9 p -152.51 152.17 31.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.35 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.44 -165.41 30.89 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.988 -0.625 . . . . 10.0 111.951 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -67.28 -40.38 86.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.772 0.32 . . . . 10.0 111.526 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.38 -38.26 81.18 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.857 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.03 -32.83 67.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.381 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.95 -37.08 83.62 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.174 -0.467 . . . . 10.0 111.649 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.98 -41.34 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.773 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m -66.32 -38.87 88.69 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.805 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 -24.57 58.84 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.394 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.21 -43.64 90.91 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.557 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . 0.474 ' O ' HG23 ' C' ' 20' ' ' VAL . 59.1 m-85 -74.68 -32.83 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.133 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.54 -39.75 94.34 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 20.8 m -73.22 -30.38 63.46 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.953 0.406 . . . . 10.0 111.014 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.41 -25.53 67.92 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.598 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.474 HG23 ' O ' ' C' ' 16' ' ' PHE . 25.4 m -114.01 24.33 4.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.736 0.303 . . . . 10.0 111.592 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.12 30.44 0.52 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -145.57 -49.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 10.0 111.277 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.521 ' O ' HG22 ' C' ' 27' ' ' VAL . 0.0 OUTLIER -68.28 -20.04 64.75 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -59.28 -49.28 78.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.85 0.357 . . . . 10.0 110.744 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -69.49 -26.82 64.74 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -69.13 -25.69 64.51 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.618 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . 0.521 HG22 ' O ' ' C' ' 23' ' ' LEU . 46.6 t -69.47 -48.79 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 109.535 -0.542 . . . . 10.0 109.535 178.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -66.17 -39.83 90.02 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.531 -0.758 . . . . 10.0 111.492 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.46 -42.5 92.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 -24.31 61.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.338 . . . . 10.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . 0.472 HD12 ' HH ' ' C' ' 47' ' ' TYR . 62.8 tp -71.81 -39.1 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.377 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . 0.702 ' HA ' ' HE3' ' A' ' 15' ' ' LYS . 69.5 m-20 -70.12 -39.71 75.31 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.943 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.03 -23.29 61.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.201 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.84 -55.35 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.752 0.649 . . . . 10.0 112.752 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . 0.517 ' HB2' ' HZ1' ' A' ' 15' ' ' LYS . . . -76.54 -15.59 59.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.759 1.022 . . . . 10.0 113.759 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.32 18.76 14.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.301 0.572 . . . . 10.0 110.988 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.75 122.72 6.59 Favored Pre-proline 0 N--CA 1.454 -0.227 0 CA-C-N 115.0 -1.0 . . . . 10.0 109.257 179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -50.12 -69.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.597 2.865 . . . . 10.0 114.021 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 29.9 m -127.82 125.65 40.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.717 0.294 . . . . 10.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . 0.578 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -137.2 93.43 13.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.842 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -63.6 -37.02 49.88 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.569 2.18 . . . . 10.0 112.608 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.0 -40.09 60.84 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.682 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.0 mm? -72.82 -22.63 60.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.85 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 36.6 tp -73.74 -44.37 56.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.811 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.11 80.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.876 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.56 -38.88 70.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.85 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . 0.472 ' HH ' HD12 ' C' ' 31' ' ' LEU . 9.3 t80 -69.38 -34.47 74.59 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.032 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -59.67 -45.85 90.8 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.946 0.403 . . . . 10.0 110.848 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 43.9 t -71.9 -37.8 70.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.789 -0.642 . . . . 10.0 111.046 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -58.44 -56.04 27.24 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.381 1.252 . . . . 10.0 114.381 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -29.81 66.36 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' SER . . . . . 0.401 ' O ' HD23 ' C' ' 56' ' ' LEU . 78.7 p -69.42 -30.51 68.48 Favored 'General case' 0 C--O 1.228 -0.075 0 C-N-CA 120.716 -0.394 . . . . 10.0 110.321 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.89 -37.08 78.79 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.4 -0.592 . . . . 10.0 109.4 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . 0.527 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 88.3 t80 -68.56 -33.6 74.37 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.466 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.44 -49.83 69.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.147 -0.933 . . . . 10.0 111.369 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . 0.401 HD23 ' O ' ' C' ' 52' ' ' SER . 0.3 OUTLIER -73.58 -27.79 61.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.246 0.832 . . . . 10.0 113.246 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . 0.404 ' CE2' ' HG2' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -65.16 -43.08 92.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.083 0.468 . . . . 10.0 109.748 178.457 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.404 ' HG2' ' CE2' ' C' ' 57' ' ' TYR . 1.5 mmp_? -76.68 -31.66 57.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.544 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.59 -41.33 88.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.854 0.359 . . . . 10.0 110.18 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.01 -34.12 68.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.767 -0.652 . . . . 10.0 110.506 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . 0.566 ' O ' HG22 ' C' ' 65' ' ' VAL . 39.6 tt0 -69.22 -39.65 78.44 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.583 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 58.6 m -65.34 -36.13 83.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.974 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -72.8 -41.32 65.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.607 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 24.3 p -64.95 -37.56 88.05 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . 0.566 HG22 ' O ' ' C' ' 61' ' ' GLN . 62.3 t -66.66 -52.66 43.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . 0.555 ' HA ' ' CE ' ' C' ' 69' ' ' LYS . 11.4 tmtt? -58.13 -42.44 85.85 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.479 0.918 . . . . 10.0 113.479 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.95 -45.62 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -61.4 -32.75 72.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 10.0 111.569 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.557 ' HD3' ' O ' ' C' ' 65' ' ' VAL . 0.8 OUTLIER -70.71 -36.53 73.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.194 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.61 -28.44 66.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.85 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.12 -50.18 55.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.926 0.393 . . . . 10.0 110.033 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -71.08 -21.83 62.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.697 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.9 73.99 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.72 0.295 . . . . 10.0 111.096 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.49 -36.07 68.32 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.634 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 45.7 mt -74.14 -33.61 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.296 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mp -69.01 -30.28 46.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.433 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -82.63 -27.31 31.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.772 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 121.041 0.448 . . . . 10.0 110.616 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.829 0.347 . . . . 10.0 110.864 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.27 58.56 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.294 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -67.28 -39.55 86.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.795 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -77.52 -34.21 54.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.002 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.13 -43.73 90.99 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -77.17 -26.57 53.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.922 0.392 . . . . 10.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.12 -38.07 92.0 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.87 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -118.81 31.4 2.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.916 0.389 . . . . 10.0 111.301 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.71 -26.76 68.51 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.822 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -85.64 -30.75 23.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.302 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . 0.421 ' O ' HG22 ' D' ' 27' ' ' VAL . 46.9 mt -70.11 -24.97 63.28 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.05 -49.35 76.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.716 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -72.11 -27.09 62.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.181 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -67.84 -33.17 74.25 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.554 -0.294 . . . . 10.0 111.563 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . 0.421 HG22 ' O ' ' D' ' 23' ' ' LEU . 89.9 t -72.07 -40.65 67.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.605 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 18.1 m -65.59 -41.21 93.11 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.903 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.17 -31.74 70.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.391 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' D' ' 34' ' ' LEU . . . -73.3 -24.48 60.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.171 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.37 -43.12 61.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.791 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -70.15 -35.47 74.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.188 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -42.21 69.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.376 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.493 ' HB3' ' HE2' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -68.58 -29.27 67.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.401 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . 0.795 ' HA ' ' HZ2' ' B' ' 15' ' ' LYS . . . -55.54 -43.75 76.08 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.872 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.386 . . -111.55 24.24 13.0 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 115.541 1.682 . . . . 10.0 115.541 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' D' ' 37' ' ' LYS . 32.3 mmtm -123.78 107.61 31.17 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 107.172 -1.418 . . . . 10.0 107.172 176.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -67.97 -73.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.72 2.28 . . . . 10.0 113.11 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' SER . . . . . 0.744 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . 2.3 p -104.02 120.26 40.68 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.699 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.3 OUTLIER -142.13 106.7 5.7 Favored Pre-proline 0 C--O 1.217 -0.61 0 N-CA-C 114.579 1.326 . . . . 10.0 114.579 -178.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.569 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 33.0 Cg_endo -66.17 -45.35 5.77 Favored 'Trans proline' 0 C--N 1.333 -0.28 0 C-N-CA 122.849 2.366 . . . . 10.0 112.874 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.8 -43.83 35.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.355 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.659 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 3.7 mm? -68.36 -23.04 64.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.356 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.699 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -79.9 -39.13 31.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.53 178.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.17 92.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.014 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.71 -48.75 58.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -63.97 -33.48 75.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.963 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . 0.713 HE21 ' HA ' ' A' ' 79' ' ' PHE . 53.3 tt0 -62.56 -49.58 74.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.3 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 46.8 t -75.15 -38.81 60.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -70.09 -34.79 73.6 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -69.4 -40.51 77.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.147 0.499 . . . . 10.0 110.069 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 62.8 p -73.76 -28.54 61.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.309 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -63.82 -36.39 83.73 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.74 -37.61 87.26 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.109 -0.95 . . . . 10.0 109.704 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -63.14 -45.78 90.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.201 -0.908 . . . . 10.0 112.292 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.41 -27.98 65.76 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -40.05 80.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -75.81 -35.13 60.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.822 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.64 -46.87 65.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.034 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.03 93.47 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.184 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . 0.502 ' O ' HG22 ' D' ' 65' ' ' VAL . 36.4 tt0 -69.14 -35.38 76.29 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.144 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 58.3 m -71.15 -28.93 64.62 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.798 0.333 . . . . 10.0 111.038 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.99 -37.66 66.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.39 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 34.1 p -68.66 -37.42 79.64 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . 0.502 HG22 ' O ' ' D' ' 61' ' ' GLN . 21.8 t -66.38 -34.47 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.935 0.398 . . . . 10.0 110.009 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? . . . . . 0 CA--C 1.532 0.26 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.898 -179.83 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.644 0.259 . . . . 10.0 111.54 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 p -160.05 145.58 15.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.054 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.0 -177.55 33.19 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.313 -0.946 . . . . 10.0 114.008 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -66.6 -30.52 70.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.912 0.387 . . . . 10.0 111.015 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.454 HD23 ' HG ' ' D' ' 39' ' ' SER . 0.8 OUTLIER -73.9 -34.08 64.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.516 179.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.405 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 12.3 m-20 -70.21 -27.95 64.89 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.986 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -74.34 -36.95 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.567 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.11 -45.0 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.313 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 p -65.62 -39.14 91.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.204 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.74 -23.03 59.7 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.965 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -63.49 -44.44 94.34 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.37 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.414 ' O ' HG23 ' A' ' 20' ' ' VAL . 61.2 m-85 -74.0 -30.55 62.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.672 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.81 -50.41 64.75 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 m -66.88 -23.57 66.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.069 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.34 -52.6 10.3 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.612 -0.722 . . . . 10.0 112.849 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 16' ' ' PHE . 26.9 m -99.03 31.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.914 0.388 . . . . 10.0 111.577 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.56 -52.16 66.34 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.318 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -88.87 -14.59 36.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.809 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.66 -37.69 73.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.508 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -63.48 -40.69 97.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.969 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -70.63 -26.4 63.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.617 0.246 . . . . 10.0 111.51 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -72.11 -27.1 62.42 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.504 -0.317 . . . . 10.0 110.895 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.3 t -70.22 -48.28 62.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.149 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.9 p -65.99 -34.91 79.18 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.846 -0.615 . . . . 10.0 112.006 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -68.94 -29.56 67.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.907 0.385 . . . . 10.0 110.651 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.5 -26.93 61.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.914 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.65 -37.03 68.1 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.714 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -70.2 -34.49 72.99 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.682 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -70.94 -41.58 70.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.912 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -25.89 66.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.085 -0.507 . . . . 10.0 112.06 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.45 -21.3 62.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.135 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.86 7.89 17.14 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 111.788 0.292 . . . . 10.0 111.788 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -117.06 122.93 30.65 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.686 -0.234 . . . . 10.0 111.524 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.68 -66.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.962 2.441 . . . . 10.0 111.516 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -127.82 123.25 34.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.936 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -138.57 96.94 9.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.787 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.81 -37.05 47.45 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.324 2.016 . . . . 10.0 112.315 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.87 -46.09 32.04 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.5 mm? -69.4 -29.13 66.8 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.93 -35.76 67.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.636 0.255 . . . . 10.0 111.184 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.72 -36.74 76.15 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.769 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.99 -31.35 64.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.761 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -72.76 -39.22 66.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.395 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.74 -37.58 86.76 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.138 0.421 . . . . 10.0 112.138 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.4 p -73.28 -39.11 65.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -75.11 -23.62 57.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.841 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 tp -74.72 -39.79 61.69 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.252 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 p -72.86 -29.65 63.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.798 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.74 -36.75 83.17 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.122 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -66.67 -35.06 79.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.773 -0.648 . . . . 10.0 110.027 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -66.48 -38.98 88.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.695 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.92 -32.7 72.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.819 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -45.66 87.71 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.812 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.29 -31.55 60.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.413 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -65.21 -54.43 29.67 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.176 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.51 -31.43 72.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.997 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -69.02 -48.73 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.658 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.1 p -71.09 -27.26 63.49 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -70.69 -39.82 73.27 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.144 0.424 . . . . 10.0 112.144 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.0 p -69.68 -38.43 77.03 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.21 -38.45 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.855 0.359 . . . . 10.0 111.632 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -76.0 -33.09 59.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.296 1.221 . . . . 10.0 114.296 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.2 t -77.58 -42.89 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.349 -0.541 . . . . 10.0 111.855 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.8 -35.44 76.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.995 0.426 . . . . 10.0 110.512 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -35.61 69.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.984 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.58 -36.57 82.95 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.953 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 67' ' ' VAL . 38.9 mt -59.0 -52.48 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-O 121.476 0.655 . . . . 10.0 110.301 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.12 -19.51 63.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.866 -1.061 . . . . 10.0 113.211 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.39 88.56 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.221 0.534 . . . . 10.0 109.648 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.07 -27.7 61.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.599 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.708 HD11 ' NE ' ' C' ' 58' ' ' ARG . 10.1 mm -64.4 -52.71 51.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 115.133 -0.94 . . . . 10.0 111.063 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.517 ' HA ' ' HB2' ' A' ' 79' ' ' PHE . 12.5 pt -64.91 -24.37 35.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.525 -0.761 . . . . 10.0 112.694 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -74.34 -29.17 61.47 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.296 -0.562 . . . . 10.0 110.045 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -101.95 7.42 41.4 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.391 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.517 ' HB2' ' HA ' ' A' ' 76' ' ' ILE . 1.2 t80 -66.18 -82.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.056 -0.975 . . . . 10.0 110.271 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.642 ' HD3' ' ND2' ' B' ' 63' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.093 -0.956 . . . . 10.0 111.674 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.583 -0.207 . . . . 10.0 112.583 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -67.16 -32.24 73.21 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.738 0.273 . . . . 10.0 111.738 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -33.81 71.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.053 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -72.15 -28.08 63.01 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.989 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.27 -39.2 65.58 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.515 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.37 -38.0 80.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.735 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 38.4 m -65.95 -44.35 85.28 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.557 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.05 -22.94 62.06 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.392 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -62.96 -46.62 86.89 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.733 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.428 ' O ' HG23 ' B' ' 20' ' ' VAL . 66.9 m-85 -75.06 -28.31 60.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.618 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.27 -50.72 64.67 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.6 p -66.61 -22.64 66.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.55 -52.84 9.32 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 115.316 -0.856 . . . . 10.0 112.774 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 16' ' ' PHE . 15.9 m -101.92 31.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.16 0.505 . . . . 10.0 111.957 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.6 -52.07 64.84 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.552 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -91.07 -13.62 32.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.413 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.411 ' O ' HG22 ' B' ' 27' ' ' VAL . 3.2 tm? -71.11 -36.78 72.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.132 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -64.45 -40.11 95.09 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.692 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -70.57 -26.33 63.48 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.617 -0.265 . . . . 10.0 111.404 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -72.45 -27.57 62.4 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.727 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.411 HG22 ' O ' ' B' ' 23' ' ' LEU . 42.9 t -70.52 -45.84 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.308 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.3 p -68.69 -33.93 74.8 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.564 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.08 -29.79 67.97 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.387 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.43 62.88 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.648 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -72.01 -36.93 69.85 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.623 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -70.4 -34.56 72.67 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.431 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -71.23 -37.0 72.03 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.82 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.15 -27.51 65.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.573 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.65 60.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.581 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.67 3.86 18.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.519 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -121.09 125.72 26.88 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.44 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -67.5 -57.73 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.843 2.362 . . . . 10.0 111.026 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 64.7 m -136.77 124.17 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.418 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.422 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.9 OUTLIER -137.36 94.83 11.92 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.806 -179.522 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.28 -35.32 51.94 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.199 1.933 . . . . 10.0 112.198 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.49 -45.87 35.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.101 -0.499 . . . . 10.0 112.095 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.422 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.0 mm? -71.84 -24.51 61.71 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.0 tp -73.12 -40.24 65.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.525 0.202 . . . . 10.0 110.664 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.39 -32.81 73.14 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.959 0.409 . . . . 10.0 110.418 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.96 65.67 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.407 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -72.19 -34.47 68.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.979 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.51 -39.9 95.66 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.38 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -76.26 -46.65 27.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.104 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.431 ' HD3' ' OE1' ' B' ' 53' ' ' GLU . 30.6 mmtm -62.8 -32.5 73.69 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.019 0.748 . . . . 10.0 113.019 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 tp -72.66 -43.05 63.66 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.116 0.484 . . . . 10.0 110.544 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -68.33 -28.7 67.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.868 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.431 ' OE1' ' HD3' ' B' ' 50' ' ' LYS . 32.8 mt-10 -67.95 -35.57 78.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.016 178.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -61.65 -33.27 73.67 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -68.41 -31.17 70.32 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.183 -0.917 . . . . 10.0 110.656 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -33.82 76.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.046 0.451 . . . . 10.0 110.755 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 0.2 OUTLIER -69.9 -49.11 55.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.6 -0.727 . . . . 10.0 112.226 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -32.49 61.83 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 -178.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -67.7 -58.61 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.42 -30.86 70.84 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.521 0.201 . . . . 10.0 110.729 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' B' ' 57' ' ' TYR . 1.8 tt0 -63.28 -46.86 84.85 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.523 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 37.4 m -68.36 -35.31 77.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.934 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.642 ' ND2' ' HD3' ' A' ' 80' ' ' ARG . 5.3 m120 -62.71 -44.68 95.6 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.435 0.531 . . . . 10.0 112.435 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 27.4 p -70.11 -42.28 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.64 -34.57 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -74.1 -37.45 64.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 114.077 1.14 . . . . 10.0 114.077 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.03 -40.25 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -65.75 -34.69 78.76 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -74.05 -35.03 64.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.261 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.29 -43.3 74.11 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.682 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.423 HG21 ' OD1' ' D' ' 55' ' ' ASN . 48.4 pt -67.8 -33.42 61.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.081 0.467 . . . . 10.0 110.479 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -72.72 -28.4 62.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.375 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.56 72.63 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.355 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.09 73.31 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.627 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 37.2 mt -64.7 -46.12 93.2 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.596 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 22.4 mt -57.46 -37.72 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.293 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -66.84 -37.58 84.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 10.0 111.36 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -96.06 9.67 40.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.362 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.955 0.407 . . . . 10.0 111.487 -179.334 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 2.3 t90 . . . . . 0 N--CA 1.462 0.159 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -159.18 153.06 23.2 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.79 -171.77 31.43 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.201 -0.523 . . . . 10.0 112.412 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -67.3 -33.64 75.7 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.226 0.454 . . . . 10.0 112.226 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.406 ' H ' HD22 ' C' ' 9' ' ' LEU . 1.1 pt? -66.85 -29.0 68.79 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.91 -28.89 63.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.362 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -74.71 -36.73 62.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.338 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -68.26 -44.98 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.391 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 31.0 p -65.06 -39.34 93.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.031 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.0 -23.0 60.58 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.213 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -64.43 -42.77 95.83 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.201 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . 0.435 ' O ' HG23 ' C' ' 20' ' ' VAL . 44.6 m-85 -74.5 -32.23 62.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.472 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -64.93 -40.58 95.27 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -73.74 -27.16 61.04 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.936 0.398 . . . . 10.0 111.02 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.29 -41.52 37.85 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.044 -0.598 . . . . 10.0 112.719 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.435 HG23 ' O ' ' C' ' 16' ' ' PHE . 34.6 m -102.14 27.11 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.639 0.256 . . . . 10.0 111.677 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.67 -51.22 70.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.934 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -92.64 -12.96 30.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.828 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.94 -40.37 72.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.305 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -64.05 -38.16 90.05 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -72.07 -26.78 62.3 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.532 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -73.13 -25.7 60.94 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.773 0.32 . . . . 10.0 110.724 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 87.9 t -71.65 -47.78 55.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.341 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.5 p -66.53 -33.75 76.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.577 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.54 -29.52 68.11 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.929 0.395 . . . . 10.0 110.417 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.91 -26.56 60.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.827 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -42.18 68.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.552 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.41 -31.3 68.45 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.641 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -46.07 66.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.461 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -26.03 66.27 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.437 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -35.83 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.72 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.56 25.33 9.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' C' ' 37' ' ' LYS . 33.6 mmtm -116.44 113.76 40.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.205 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.46 -72.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.359 2.706 . . . . 10.0 112.69 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -130.54 124.33 31.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.674 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . 0.589 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.5 OUTLIER -137.91 93.58 11.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.814 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.95 -36.66 48.26 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.234 1.956 . . . . 10.0 112.198 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.41 -41.73 55.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.262 -0.426 . . . . 10.0 112.002 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.589 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.6 mm? -71.47 -28.7 64.12 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 tp -72.98 -36.18 67.02 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.76 0.314 . . . . 10.0 110.863 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.89 72.2 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.403 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.47 64.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.677 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -72.31 -39.8 67.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.08 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.27 -37.36 80.64 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 68.8 p -71.91 -38.79 69.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.453 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -78.54 -22.3 47.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 10.0 111.711 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -75.06 -35.65 61.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 10.0 110.586 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 73.6 p -73.32 -31.32 63.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.941 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.33 -35.98 82.63 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.444 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . 0.474 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 71.7 t80 -65.66 -34.46 78.25 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.862 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -71.14 -38.93 72.24 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.224 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.56 -31.34 63.58 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -42.93 89.9 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.708 ' NE ' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -75.59 -34.34 60.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.085 -0.961 . . . . 10.0 111.4 -179.304 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -64.48 -43.19 94.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.998 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.43 -29.83 67.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.242 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -69.2 -46.37 67.59 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.247 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' C' ' 66' ' ' LYS . 59.5 p -71.62 -26.51 62.6 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.867 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -75.34 -44.96 42.39 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -63.41 -38.91 92.95 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.37 -45.5 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 121.082 -0.247 . . . . 10.0 111.488 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' C' ' 62' ' ' SER . 32.4 mmtm -66.3 -27.75 68.15 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 95.7 t -78.42 -54.21 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -61.39 -34.83 76.0 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -72.2 -34.56 68.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.195 179.339 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.3 -34.03 76.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.653 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 83.9 mt -63.4 -44.44 98.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.603 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.38 -21.7 62.83 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.198 -0.456 . . . . 10.0 112.189 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.75 -41.59 83.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.02 0.438 . . . . 10.0 110.533 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.19 -28.83 61.47 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.182 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.69 -47.18 83.93 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.36 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -30.09 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -66.51 -33.18 75.11 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.946 0.403 . . . . 10.0 110.832 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 13.0 m120 . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.915 179.381 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 43.3 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.618 0.247 . . . . 10.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -23.01 61.28 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.349 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -66.72 -38.53 86.88 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-O 120.931 0.396 . . . . 10.0 110.47 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -77.35 -34.76 55.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.203 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -65.5 -46.23 80.5 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.842 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -79.77 -24.45 41.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.67 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.93 -45.86 70.71 Favored Glycine 0 C--N 1.329 0.175 0 C-N-CA 120.855 -0.688 . . . . 10.0 112.952 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . 0.597 ' HB ' HD21 ' D' ' 23' ' ' LEU . 33.4 m -113.62 32.16 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.31 0.576 . . . . 10.0 111.621 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.54 -30.73 69.94 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.24 -0.891 . . . . 10.0 113.2 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -87.68 -36.99 17.11 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.764 1.394 . . . . 10.0 114.764 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . 0.597 HD21 ' HB ' ' D' ' 20' ' ' VAL 0.418 0.0 OUTLIER -71.39 -20.2 62.17 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 114.335 1.235 . . . . 10.0 114.335 -179.941 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -61.03 -44.5 97.32 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -73.18 -26.57 61.23 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.374 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -69.0 -26.67 65.13 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.727 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . 0.45 HG22 ' O ' ' D' ' 23' ' ' LEU . 96.3 t -73.25 -48.19 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.043 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.058 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.3 p -63.85 -32.93 74.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.213 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -71.94 -29.54 64.39 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.683 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.29 -28.02 61.87 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.737 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' D' ' 31' ' ' LEU . 0.3 OUTLIER -73.15 -36.88 66.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.852 179.338 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.55 -36.09 81.83 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.785 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' D' ' 37' ' ' LYS . 62.3 mttp -71.4 -45.98 61.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.259 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -25.38 68.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.607 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.16 -37.28 45.46 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.72 24.77 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . 0.517 ' HB3' ' OD1' ' D' ' 40' ' ' ASP . 42.8 mmtm -116.55 107.86 46.1 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.25 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.49 -75.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.727 2.285 . . . . 10.0 112.38 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' SER . . . . . 0.454 ' HG ' HD23 ' A' ' 9' ' ' LEU . 64.3 p -109.45 123.78 49.94 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 178.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.517 ' OD1' ' HB3' ' D' ' 37' ' ' LYS . 0.4 OUTLIER -137.3 102.88 8.82 Favored Pre-proline 0 N--CA 1.442 -0.825 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -177.393 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.474 ' HB2' ' HH ' ' C' ' 54' ' ' TYR . 24.0 Cg_endo -65.05 -45.79 7.24 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.292 1.995 . . . . 10.0 112.238 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.22 -53.51 7.26 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.737 1.014 . . . . 10.0 113.737 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.72 -33.8 73.43 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 114.52 1.304 . . . . 10.0 114.52 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.492 ' CD1' ' HB2' ' D' ' 40' ' ' ASP . 5.0 mp -76.54 -32.9 58.5 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.94 91.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.958 0.409 . . . . 10.0 110.936 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.42 -32.52 70.17 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.398 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -72.8 -36.17 67.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.327 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' D' ' 44' ' ' LEU . 48.0 mt-30 -60.99 -43.08 99.39 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.201 0.313 . . . . 10.0 111.729 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.8 p -68.4 -40.16 81.42 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -77.74 -19.16 55.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.963 0.411 . . . . 10.0 111.423 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.92 -46.66 51.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.637 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 69.4 p -74.0 -27.48 60.98 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.574 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -62.35 -35.93 80.64 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.03 -36.64 83.81 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.431 -0.804 . . . . 10.0 108.842 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . 0.423 ' OD1' HG21 ' B' ' 71' ' ' ILE . 0.8 OUTLIER -56.44 -53.24 59.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.439 -1.255 . . . . 10.0 111.514 179.139 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.03 -29.04 64.85 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -45.1 92.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.034 0.445 . . . . 10.0 110.583 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -31.11 50.12 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.244 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -63.11 -55.91 21.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.575 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.06 -31.43 72.65 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -69.51 -49.93 49.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.146 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 92.5 p -68.59 -32.44 72.35 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.83 -37.19 85.56 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 33.7 p -69.77 -37.6 76.45 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.42 -44.42 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.921 0.391 . . . . 10.0 111.927 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 113.788 1.033 . . . . 10.0 113.788 -177.621 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.411 ' HZ2' HD22 ' B' ' 23' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.387 0.137 . . . . 10.0 110.74 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.2 p -141.73 153.68 44.78 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 111.783 0.29 . . . . 10.0 111.783 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.99 168.46 41.6 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.522 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -66.66 -37.97 85.87 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' D' ' 39' ' ' SER . 0.6 OUTLIER -74.92 -30.61 61.31 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.774 179.503 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.43 -34.99 75.25 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.291 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -71.51 -36.18 70.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.26 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -73.49 -28.08 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.877 0.37 . . . . 10.0 111.753 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -73.27 -43.27 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 10.0 110.836 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.42 -25.64 62.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.906 -0.588 . . . . 10.0 112.145 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 12' ' ' VAL . 18.2 ptmt -70.14 -38.39 75.51 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.57 0.224 . . . . 10.0 111.259 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -70.34 -34.57 72.81 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.115 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -66.23 -50.94 62.08 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -68.17 -23.63 64.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 10.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.27 -36.0 70.33 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.538 -0.756 . . . . 10.0 113.315 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -115.76 31.85 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.948 0.404 . . . . 10.0 111.271 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.77 -7.11 46.21 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -116.33 -23.74 8.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 10.0 109.924 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -30.69 71.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.937 -1.029 . . . . 10.0 110.992 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.84 -44.99 94.66 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -68.74 -26.31 65.18 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.785 0.326 . . . . 10.0 111.278 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -69.75 -27.53 65.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.173 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -72.76 -45.03 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.61 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.5 p -68.26 -26.68 65.8 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.476 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -66.45 -49.44 66.67 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.236 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.25 -24.19 63.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.756 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -70.83 -36.3 72.84 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.95 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -67.64 -38.29 83.62 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.767 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mppt? -71.38 -26.41 62.77 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.488 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -26.03 49.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.847 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -23.16 63.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.27 6.38 24.53 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -116.56 126.73 27.3 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.602 0.239 . . . . 10.0 111.619 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -72.56 -68.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.993 2.462 . . . . 10.0 111.2 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -121.8 123.91 42.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.609 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.556 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -137.67 98.81 9.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.488 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -63.76 -41.35 24.7 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.468 2.112 . . . . 10.0 112.631 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.27 -43.06 43.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.1 mm? -70.34 -27.33 64.27 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.77 -31.85 67.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.553 0.216 . . . . 10.0 111.535 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.78 75.64 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.833 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.41 65.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.428 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -72.27 -35.16 68.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.828 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -67.67 -43.25 80.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.859 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 m -69.18 -39.08 78.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.258 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -73.38 -27.41 61.46 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.382 0.512 . . . . 10.0 112.382 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -72.64 -39.45 67.19 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.3 m -71.01 -29.74 65.77 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.001 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.44 -37.3 87.04 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.252 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -67.92 -35.65 78.82 Favored 'General case' 0 C--N 1.337 0.038 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.629 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -74.97 -19.83 59.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.07 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.36 -45.39 55.3 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.585 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -33.44 66.86 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.894 0.378 . . . . 10.0 111.234 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -41.37 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.199 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -77.38 -32.59 55.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.257 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.79 83.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.725 0.297 . . . . 10.0 110.996 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -71.2 -41.27 70.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.328 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 p -71.87 -25.6 62.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.584 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.401 ' O ' HG22 ' A' ' 67' ' ' VAL . 68.1 m-20 -76.16 -36.86 58.55 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 111.921 0.341 . . . . 10.0 111.921 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -42.6 88.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.741 0.305 . . . . 10.0 111.209 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 15.8 m -80.01 -15.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.983 0.735 . . . . 10.0 112.983 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -85.28 -47.53 9.96 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 120.655 -0.418 . . . . 10.0 111.673 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 63' ' ' ASN . 6.5 t -69.22 -35.47 68.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 10.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.42 ' CZ ' ' HD3' ' D' ' 41' ' ' PRO . 10.5 t80 -70.48 -39.53 74.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.966 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -65.84 -33.42 75.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.165 179.135 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.12 -47.29 74.62 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.799 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.685 HD11 ' HB3' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -70.05 -34.55 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.062 0.458 . . . . 10.0 111.071 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.22 -46.82 72.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.97 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.93 -33.89 67.43 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.62 -48.6 76.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.004 0.43 . . . . 10.0 110.374 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.83 -50.59 74.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.818 0.818 . . . . 10.0 110.186 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 HD11 HD12 ' D' ' 44' ' ' LEU . 0.8 OUTLIER -56.41 -44.93 81.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.836 -1.074 . . . . 10.0 113.518 -179.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -76.7 -11.24 59.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.12 0.486 . . . . 10.0 111.688 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.58 ' C ' ' H ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -77.57 -19.11 56.18 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.584 178.697 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.548 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 41.9 m-85 -66.95 28.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.254 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.58 ' H ' ' C ' ' A' ' 78' ' ' ASN . 43.9 ttp180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.5 -0.762 . . . . 10.0 111.515 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.232 -0.347 . . . . 10.0 112.232 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -66.68 -38.78 87.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.311 . . . . 10.0 111.263 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -30.13 63.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.827 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.79 -35.12 69.91 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.005 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -68.98 -36.09 77.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.776 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.33 -36.14 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.989 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -66.48 -48.28 70.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.011 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.81 -23.37 61.54 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.306 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.661 ' HZ3' ' HB3' ' D' ' 34' ' ' LEU . 0.1 OUTLIER -64.53 -42.19 95.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.704 179.42 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.509 ' O ' HG23 ' B' ' 20' ' ' VAL . 16.0 m-85 -75.68 -34.97 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.615 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.27 -52.58 53.45 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.539 1.311 . . . . 10.0 114.539 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 11.5 m -64.43 -24.88 67.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.194 0.521 . . . . 10.0 110.866 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.47 -39.92 29.19 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 114.885 0.714 . . . . 10.0 114.885 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 16' ' ' PHE . 34.0 m -108.44 31.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.441 0.639 . . . . 10.0 111.8 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.18 18.66 0.83 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.951 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.5 -33.83 1.85 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.536 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.562 ' O ' HG22 ' B' ' 27' ' ' VAL . 2.4 pp -68.29 -21.37 64.79 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -61.79 -45.17 95.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.67 0.271 . . . . 10.0 110.998 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -71.92 -26.06 62.15 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.862 0.363 . . . . 10.0 110.349 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -71.38 -26.92 62.99 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.074 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 23' ' ' LEU . 60.2 t -72.74 -45.46 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 40.2 p -68.94 -26.75 65.23 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.175 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -66.77 -48.78 68.0 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.934 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.91 -24.26 63.35 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.763 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.47 -36.06 71.06 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.015 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -66.97 -40.07 87.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.506 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mppt? -71.6 -21.88 61.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.135 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -34.08 62.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.048 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.15 -12.07 60.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.822 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.55 8.1 29.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -126.66 127.49 24.48 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.592 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.85 -60.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.835 2.357 . . . . 10.0 110.479 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 63.3 m -128.69 124.26 35.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.1 95.91 11.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.47 -32.42 59.8 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.389 2.059 . . . . 10.0 111.175 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.19 -51.27 12.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.336 -0.847 . . . . 10.0 112.256 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.55 -22.97 63.51 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 tp -72.24 -32.7 66.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 10.0 110.797 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.31 -37.53 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.727 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.24 -33.3 65.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.558 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -72.62 -34.17 67.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.86 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -68.3 -43.57 77.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.542 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -69.18 -38.5 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.115 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -74.19 -30.6 62.3 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.228 -0.442 . . . . 10.0 112.024 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -69.16 -38.24 78.65 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.425 ' O ' HD12 ' B' ' 56' ' ' LEU . 49.9 m -73.08 -29.2 62.77 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.411 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.28 -36.84 85.0 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -66.45 -36.4 82.7 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.643 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -74.14 -20.99 60.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.828 -0.623 . . . . 10.0 110.959 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.425 HD12 ' O ' ' B' ' 52' ' ' SER . 1.0 OUTLIER -67.34 -46.87 72.16 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.8 0.334 . . . . 10.0 110.39 179.788 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -41.76 61.09 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -50.6 35.92 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.897 1.073 . . . . 10.0 113.897 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -74.05 -23.93 59.46 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.917 1.08 . . . . 10.0 113.917 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.41 -38.11 63.18 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -69.31 -34.38 74.58 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 40.2 t -71.4 -36.93 71.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.268 -0.878 . . . . 10.0 110.465 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.548 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 21.4 m-20 -75.55 -35.51 60.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 10.0 112.33 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -69.91 -41.27 74.89 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.72 -19.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.359 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -77.18 -48.18 18.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 t -67.65 -37.92 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -65.29 -39.67 92.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.121 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -69.31 -34.62 74.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.575 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.72 -47.93 70.81 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.817 0.303 . . . . 10.0 111.817 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.01 -35.9 66.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 121.201 0.524 . . . . 10.0 111.395 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -72.49 -32.32 66.1 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.979 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.45 -33.06 75.06 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.643 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.35 93.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.086 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' D' ' 62' ' ' SER . 43.4 mt -68.58 -51.12 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.373 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.47 -43.21 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.097 -0.502 . . . . 10.0 112.175 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -71.84 -18.51 62.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.956 0.408 . . . . 10.0 110.786 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.87 -27.61 62.01 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.387 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 . . . . . 0 CA--C 1.533 0.308 0 CA-C-N 116.343 -0.389 . . . . 10.0 112.006 179.19 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.064 0 CA-C-O 120.764 0.316 . . . . 10.0 111.048 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -140.41 128.69 22.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 10.0 111.579 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.26 164.56 31.51 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.957 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -65.94 -35.29 80.19 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.849 0.357 . . . . 10.0 111.405 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.03 -29.49 60.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.101 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.69 -34.93 67.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.449 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -71.62 -36.95 70.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.98 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.678 HG11 HG21 ' C' ' 64' ' ' THR . 8.2 p -74.65 -27.5 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 111.933 0.346 . . . . 10.0 111.933 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 63.6 m -69.8 -47.8 61.48 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.763 0.316 . . . . 10.0 110.693 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.56 -23.35 63.55 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.591 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -64.99 -41.16 95.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.666 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -77.33 -31.42 54.51 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.402 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -65.39 -42.64 92.43 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 8.4 m -76.29 -24.5 54.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.835 0.35 . . . . 10.0 111.188 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -36.08 75.65 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.956 -0.64 . . . . 10.0 112.772 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.06 30.91 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.73 0.3 . . . . 10.0 111.653 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.24 -18.73 63.91 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.883 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -108.96 -19.45 13.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.511 0.672 . . . . 10.0 109.846 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.4 ' O ' HG22 ' C' ' 27' ' ' VAL . 2.9 tm? -65.87 -34.31 77.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.226 -0.897 . . . . 10.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.07 -45.73 93.55 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -68.42 -26.26 65.44 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.737 0.303 . . . . 10.0 111.633 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -71.16 -26.86 63.17 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.568 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . 0.4 HG22 ' O ' ' C' ' 23' ' ' LEU . 16.7 t -73.2 -45.15 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.82 0.343 . . . . 10.0 110.392 179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 34.4 p -68.17 -25.21 65.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.497 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.23 -49.31 61.57 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.019 0.437 . . . . 10.0 110.413 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.06 -25.09 65.18 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.282 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.65 -40.55 76.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.258 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.84 -32.09 73.48 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.424 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -71.58 -31.92 67.49 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.731 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.95 -24.6 43.83 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.542 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.04 -39.89 13.73 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.056 0.761 . . . . 10.0 113.056 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.93 24.55 5.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 114.193 1.183 . . . . 10.0 114.193 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 122.12 44.3 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.149 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.63 -73.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.028 2.486 . . . . 10.0 112.55 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -136.81 125.04 23.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.003 0.43 . . . . 10.0 110.751 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.13 98.38 12.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.031 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.9 -35.82 75.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.769 2.313 . . . . 10.0 112.679 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.28 47.28 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.46 -22.98 60.99 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 112.589 0.589 . . . . 10.0 112.589 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.76 -31.64 66.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.548 0.213 . . . . 10.0 111.416 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.8 75.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.813 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.81 63.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.335 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -71.65 -38.87 70.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.565 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -68.64 -40.41 80.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.843 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -69.04 -44.3 72.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.347 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -70.17 -30.1 67.16 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -51.78 58.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.448 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -67.36 -28.98 68.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.632 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.45 -36.47 73.72 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . 0.438 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 86.1 t80 -69.17 -36.97 77.93 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.219 -0.9 . . . . 10.0 109.48 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -71.68 -26.34 62.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.669 -0.696 . . . . 10.0 112.385 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -41.22 62.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -35.93 68.73 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.986 0.422 . . . . 10.0 110.92 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.685 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -73.07 -40.61 64.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.81 -179.469 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -75.99 -24.54 55.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.957 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.89 68.61 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.772 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -70.86 -43.2 68.93 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' C' ' 66' ' ' LYS . 27.8 p -70.53 -23.09 62.57 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -76.55 -38.75 54.53 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' THR . . . . . 0.678 HG21 HG11 ' C' ' 12' ' ' VAL . 4.6 m -64.4 -46.69 82.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.998 0.427 . . . . 10.0 110.039 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . 0.527 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 22.4 m -74.69 -13.66 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.699 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' C' ' 62' ' ' SER . 0.0 OUTLIER -78.27 -49.52 13.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.899 0.381 . . . . 10.0 110.682 179.629 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.91 -42.88 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.255 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.04 -45.25 93.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.851 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' C' ' 65' ' ' VAL . 0.0 OUTLIER -68.27 -34.05 75.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.884 0.698 . . . . 10.0 112.884 -179.522 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -48.62 77.82 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.766 0.284 . . . . 10.0 111.766 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 32.5 pt -74.68 -29.75 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.659 0.266 . . . . 10.0 111.476 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.53 -35.05 67.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.634 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.59 -27.36 63.08 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.808 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -43.86 74.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.206 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 59.7 mt -74.73 -43.06 47.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.58 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . 0.557 HG13 ' ND2' ' D' ' 63' ' ' ASN . 1.7 tp -62.22 -33.37 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.784 -0.644 . . . . 10.0 112.195 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.9 -18.28 35.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.92 0.39 . . . . 10.0 110.35 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.213 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.862 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.592 0.234 . . . . 10.0 111.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.41 -24.29 64.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.53 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -68.72 -36.71 78.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.805 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . 0.437 ' O ' HG23 ' D' ' 20' ' ' VAL . 23.1 m-85 -76.4 -36.33 58.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.284 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.23 -44.33 88.57 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.196 -0.456 . . . . 10.0 112.221 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 14.4 m -76.6 -25.99 54.51 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.83 0.348 . . . . 10.0 111.008 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.73 82.27 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.083 -0.579 . . . . 10.0 113.033 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . 0.437 HG23 ' O ' ' D' ' 16' ' ' PHE . 35.8 m -111.68 31.73 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.952 0.406 . . . . 10.0 111.269 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.34 -21.89 66.75 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.713 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -101.35 -13.94 17.81 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.98 0.419 . . . . 10.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.28 -35.32 75.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.15 -43.12 99.37 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 14.5 t -71.58 -26.49 62.63 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -72.36 -30.54 64.81 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.625 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 64.7 t -73.41 -41.71 56.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.068 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 46.5 p -69.17 -25.65 64.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.219 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -69.32 -47.2 65.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.885 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.23 -23.74 63.92 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.314 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -68.18 -39.09 82.6 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.773 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -70.62 -39.07 73.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.138 -0.483 . . . . 10.0 112.221 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -71.58 -36.17 70.78 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.661 ' HB3' ' HZ3' ' B' ' 15' ' ' LYS . 0.5 OUTLIER -76.85 -24.4 52.67 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -178.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.56 -49.01 48.07 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.269 . . -103.89 25.38 9.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.488 1.292 . . . . 10.0 114.488 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -121.82 107.52 35.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 107.879 -1.156 . . . . 10.0 107.879 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.51 -74.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.693 2.262 . . . . 10.0 113.458 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' SER . . . . . 0.415 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 12.5 m -100.13 130.81 46.31 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 29.1 m-20 -132.0 105.08 13.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 113.75 1.018 . . . . 10.0 113.75 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.438 ' HB2' ' HH ' ' C' ' 54' ' ' TYR . 41.0 Cg_endo -70.04 -51.75 0.34 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 120.931 1.088 . . . . 10.0 111.644 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.28 6.8 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 113.505 0.928 . . . . 10.0 113.505 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.06 -27.28 65.37 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.474 HD12 HD11 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -82.74 -31.06 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.601 0.593 . . . . 10.0 112.601 -179.62 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.34 -35.81 80.14 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.763 0.316 . . . . 10.0 110.874 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.35 -43.41 60.75 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.947 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.77 -32.65 74.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.386 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -65.0 -52.65 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.519 -0.764 . . . . 10.0 112.782 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 46.8 m -64.96 -38.1 89.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -72.29 -26.54 62.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 114.352 1.242 . . . . 10.0 114.352 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -39.74 66.23 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.075 -0.65 . . . . 10.0 109.365 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -69.18 -28.66 66.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.72 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.43 -37.48 87.46 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -69.9 -32.01 70.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.997 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -75.75 -23.4 56.0 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.094 -0.957 . . . . 10.0 112.038 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.02 -41.32 62.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -30.66 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 10.0 111.204 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -40.92 47.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.267 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.71 -40.92 32.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.605 0.594 . . . . 10.0 112.605 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.15 90.0 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.726 0.269 . . . . 10.0 111.726 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.73 -37.74 82.61 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 62' ' ' SER . . . . . 0.435 ' HB2' HG12 ' B' ' 75' ' ' ILE . 38.8 t -70.3 -28.14 64.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.353 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . 0.557 ' ND2' HG13 ' C' ' 76' ' ' ILE . 84.5 m-20 -76.65 -37.69 55.84 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 20.0 p -63.72 -39.99 95.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.899 0.381 . . . . 10.0 110.661 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 15.2 t -77.61 -25.17 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.419 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 tptp . . . . . 0 N--CA 1.465 0.309 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.614 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 60.8 t90 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.774 0.321 . . . . 10.0 110.297 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -158.69 115.53 2.77 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.9 165.43 30.62 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 115.485 0.954 . . . . 10.0 115.485 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -39.32 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.269 -0.965 . . . . 10.0 109.583 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -29.16 59.24 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.341 -0.845 . . . . 10.0 111.526 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.91 -39.14 90.3 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.607 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -74.63 -35.94 62.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.371 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.38 -41.94 89.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.618 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.8 m -67.18 -42.2 84.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.24 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -23.02 62.12 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.259 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -67.2 -43.67 81.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.878 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -73.7 -27.5 61.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.288 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -63.61 -48.44 77.33 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -71.52 -23.58 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 10.0 110.171 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.53 -40.66 90.88 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.579 -0.737 . . . . 10.0 113.295 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 m -114.91 31.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.388 . . . . 10.0 111.504 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.04 -45.46 85.33 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -91.43 -14.61 30.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.402 0.62 . . . . 10.0 110.129 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 27' ' ' VAL . 2.9 tm? -66.73 -38.78 87.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.354 -0.839 . . . . 10.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -63.75 -36.73 84.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -72.99 -26.4 61.33 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.798 0.332 . . . . 10.0 111.021 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -74.35 -24.26 59.14 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.613 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 23' ' ' LEU . 58.2 t -71.24 -46.52 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.045 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.5 p -70.32 -29.04 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.419 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -70.35 -41.06 73.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.015 0.436 . . . . 10.0 110.218 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.89 -24.25 52.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.298 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.419 HD12 ' HH ' ' A' ' 47' ' ' TYR . 55.7 tp -67.91 -43.65 78.74 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.611 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.81 -31.14 67.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.247 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -66.95 -38.78 86.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.266 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.89 -39.13 69.79 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.195 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.13 -19.98 59.63 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.75 -8.82 42.69 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -118.67 136.45 24.16 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.752 -0.204 . . . . 10.0 110.948 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -57.72 -69.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.014 2.476 . . . . 10.0 111.866 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 p -133.51 123.51 25.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.329 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.04 94.54 11.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.757 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -63.34 -32.88 71.99 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.482 2.121 . . . . 10.0 112.58 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.39 -45.64 37.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.246 -0.434 . . . . 10.0 112.119 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.49 -22.12 61.1 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.794 0.294 . . . . 10.0 111.794 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.79 -33.5 66.3 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.543 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.03 88.84 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.34 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.15 64.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.659 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.419 ' HH ' HD12 ' A' ' 31' ' ' LEU . 64.8 t80 -72.38 -41.33 66.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.478 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -66.75 -33.94 76.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.37 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.9 m -76.08 -41.18 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.489 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -74.75 -27.52 60.38 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.16 -35.14 61.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.978 0.418 . . . . 10.0 110.316 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.3 p -74.57 -29.14 61.23 Favored 'General case' 0 C--O 1.23 0.048 0 CA-C-N 115.866 -0.607 . . . . 10.0 110.406 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.62 -36.85 83.58 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.088 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -68.71 -35.48 77.22 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.729 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -65.6 -43.61 89.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.038 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.32 -28.65 65.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.585 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.53 -58.3 6.76 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.843 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -70.03 -20.39 63.26 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -74.29 -35.44 63.71 Favored 'General case' 0 C--N 1.334 -0.09 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.6 63.91 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.345 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -69.05 -42.76 75.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.625 -0.716 . . . . 10.0 111.705 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.0 p -71.37 -28.24 63.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.048 0.388 . . . . 10.0 112.048 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.8 -37.73 62.28 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 p -69.91 -47.54 62.09 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.924 0.713 . . . . 10.0 112.924 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -72.86 -20.6 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -77.91 -48.47 16.26 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 111.824 0.305 . . . . 10.0 111.824 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.5 t -73.98 -42.61 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -58.98 -40.6 85.31 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 111.633 0.234 . . . . 10.0 111.633 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -34.68 67.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.29 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.53 -41.04 98.6 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.595 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 67' ' ' VAL . 1.4 mt -64.59 -47.29 89.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 178.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.515 ' O ' HG12 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -60.15 -26.98 66.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 113.898 -1.501 . . . . 10.0 113.578 -178.802 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.34 -36.44 61.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.946 0.403 . . . . 10.0 110.238 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -45.01 69.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.696 -0.684 . . . . 10.0 112.09 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.507 HD11 ' HA ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -60.05 -43.95 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 -178.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 72' ' ' ASP . 12.4 pt -74.02 -24.32 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -69.41 -23.83 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -74.58 -35.92 63.02 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 115.366 -0.833 . . . . 10.0 109.578 177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.647 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 3.5 m-85 -71.73 129.78 39.52 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 107.649 -1.241 . . . . 10.0 107.649 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.537 ' O ' ' HA ' ' B' ' 63' ' ' ASN . 7.8 tpt180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.01 -0.995 . . . . 10.0 112.176 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 120.794 0.108 . . . . 10.0 113.05 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -45.55 78.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.693 0.282 . . . . 10.0 111.273 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -21.79 59.22 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.651 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.88 -40.12 94.62 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.666 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.82 -36.4 62.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.646 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.74 -46.53 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.176 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -66.14 -37.95 86.93 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.397 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.92 -22.93 62.18 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' D' ' 32' ' ' ASP . 0.3 OUTLIER -69.44 -43.53 73.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.415 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -71.96 -27.76 62.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.075 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.26 -52.91 62.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.452 -0.795 . . . . 10.0 112.288 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -71.86 -22.1 61.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.45 -51.01 60.66 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 114.807 -1.088 . . . . 10.0 114.645 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.541 HG13 HD21 ' B' ' 23' ' ' LEU . 30.9 m -112.35 26.09 3.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.938 0.399 . . . . 10.0 110.918 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.24 -28.96 70.09 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.899 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.421 ' O ' HG23 ' B' ' 25' ' ' THR . 8.8 t-20 -100.51 -31.97 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.567 ' O ' HG22 ' B' ' 27' ' ' VAL 0.282 2.8 pp -70.61 -21.7 62.62 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -62.4 -41.32 98.57 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.676 0.274 . . . . 10.0 110.842 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.421 HG23 ' O ' ' B' ' 22' ' ' ASN . 9.4 t -73.67 -26.08 60.56 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.982 0.42 . . . . 10.0 110.015 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -72.44 -24.47 61.22 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.442 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.567 HG22 ' O ' ' B' ' 23' ' ' LEU . 98.2 t -72.58 -45.69 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.3 p -69.37 -27.15 65.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.734 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -74.51 -39.01 62.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.075 -0.511 . . . . 10.0 109.807 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.95 -24.26 52.37 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.122 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -68.63 -44.15 74.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.021 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.7 -30.93 67.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.676 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -65.6 -39.68 91.84 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.637 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.58 -39.12 74.05 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.01 -16.03 60.03 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.629 0.603 . . . . 10.0 112.629 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.34 -20.07 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.181 0.437 . . . . 10.0 112.181 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -110.24 143.83 28.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.933 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.09 -69.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.725 2.283 . . . . 10.0 111.106 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.1 p -135.16 124.47 24.68 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.84 95.98 11.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 111.973 0.361 . . . . 10.0 111.973 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.74 -30.98 69.42 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.687 2.258 . . . . 10.0 112.188 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.11 -49.31 29.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.964 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.98 -21.81 60.79 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.068 0.396 . . . . 10.0 112.068 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.45 -35.3 65.72 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.709 0.29 . . . . 10.0 110.25 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.86 -36.42 82.27 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.0 -34.07 64.04 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.417 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -72.09 -38.22 69.41 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.05 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -66.48 -37.1 84.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.17 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 49.7 m -74.03 -38.5 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.359 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -75.92 -33.87 59.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.932 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 tp -68.63 -36.51 78.71 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 95.0 p -73.71 -28.19 61.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.407 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.51 -35.23 78.72 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.854 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -66.53 -33.7 76.26 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 49.5 t30 -70.02 -28.5 65.54 Favored 'General case' 0 C--O 1.228 -0.076 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.306 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.43 HD13 ' O ' ' D' ' 38' ' ' PRO . 0.2 OUTLIER -72.2 -31.49 65.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.143 -0.935 . . . . 10.0 110.591 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -70.91 -56.11 6.95 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.591 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -67.59 -25.27 65.69 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 113.166 0.802 . . . . 10.0 113.166 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 1.4 m-80 -75.54 -50.94 14.12 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.797 0.295 . . . . 10.0 111.797 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.88 73.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.644 0.259 . . . . 10.0 110.547 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -65.84 -42.46 90.49 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.581 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 15.9 t -70.92 -33.21 70.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.657 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.647 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 82.3 m-20 -73.45 -41.23 63.47 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 39.6 p -68.85 -48.66 62.92 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.81 -31.49 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -67.11 -48.27 68.65 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.54 0.57 . . . . 10.0 112.54 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.464 ' O ' HG12 ' B' ' 71' ' ' ILE . 20.4 t -66.85 -44.39 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -59.74 -44.21 93.88 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -71.41 -36.14 71.25 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.3 -44.07 84.51 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.929 0.395 . . . . 10.0 110.97 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 67' ' ' VAL . 8.6 mm -66.06 -43.83 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.74 -31.65 72.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.754 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.78 -30.89 68.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.222 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.74 -40.67 76.04 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 42.8 pt -69.69 -31.45 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.2 -33.67 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 10.0 110.027 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -70.59 -25.64 63.16 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.405 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -73.76 -30.55 62.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.172 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.052 178.855 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 47.7 t90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.012 0.434 . . . . 10.0 110.628 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 22.7 p -159.7 117.0 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.355 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.79 169.85 20.49 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.647 -0.787 . . . . 10.0 113.083 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -34.41 77.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.096 0.474 . . . . 10.0 110.48 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.508 HD11 HG13 ' C' ' 65' ' ' VAL . 21.5 tp -71.97 -33.62 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.759 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.89 -39.14 93.07 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.39 -40.09 67.51 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.415 0.524 . . . . 10.0 112.415 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.794 HG11 HG21 ' C' ' 64' ' ' THR . 65.2 t -67.29 -43.14 88.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -63.32 -44.5 94.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.578 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.66 -22.95 62.43 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.392 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -64.88 -42.65 94.62 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.889 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -77.59 -28.45 51.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.796 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -64.91 -39.79 94.07 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -76.86 -25.5 53.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.931 0.396 . . . . 10.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.44 -36.39 62.93 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 121.02 -0.61 . . . . 10.0 112.653 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -109.37 25.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.66 0.267 . . . . 10.0 111.593 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.36 -45.67 93.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.252 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -95.04 -10.66 30.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.203 0.525 . . . . 10.0 110.55 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.26 -38.52 78.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.547 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -65.17 -35.44 81.09 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.7 t -73.15 -26.7 61.3 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.044 -0.262 . . . . 10.0 111.001 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -76.38 -24.3 54.11 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.273 -0.422 . . . . 10.0 109.87 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.82 -45.33 81.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.345 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -73.97 -28.02 61.28 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.214 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.22 -42.63 75.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.196 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.07 51.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.478 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . 0.746 HD12 ' HH ' ' C' ' 47' ' ' TYR . 26.3 tp -66.65 -46.71 74.88 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.803 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.11 -30.66 66.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.175 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -59.73 -48.1 83.02 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.677 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -75.76 -34.81 60.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.503 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.4 -33.98 75.83 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.011 0.745 . . . . 10.0 113.011 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.35 20.97 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -127.4 129.88 23.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.366 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -46.73 -72.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.728 2.952 . . . . 10.0 113.077 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 18.0 p -149.5 125.06 10.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.679 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.45 100.98 9.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.516 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -63.69 -30.85 69.82 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.287 1.991 . . . . 10.0 112.27 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.31 -46.61 32.35 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.143 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.67 -22.34 60.93 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 46.9 tp -71.5 -33.45 69.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.86 0.362 . . . . 10.0 110.585 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.68 78.55 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.363 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.25 64.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.999 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . 0.746 ' HH ' HD12 ' C' ' 31' ' ' LEU . 67.8 t80 -72.11 -40.46 68.12 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.24 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -67.64 -36.5 80.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.252 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -73.34 -39.09 65.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.505 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -74.23 -29.01 61.51 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tp -74.46 -34.5 63.16 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.67 0.272 . . . . 10.0 111.21 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -74.99 -29.53 60.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.508 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.37 -36.52 83.99 Favored 'General case' 0 C--O 1.231 0.085 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . 0.482 ' HH ' ' HG2' ' D' ' 41' ' ' PRO . 74.9 t80 -70.07 -34.13 72.81 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.353 -0.84 . . . . 10.0 110.032 178.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -66.15 -51.74 54.95 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.19 -28.81 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . 0.411 ' HH ' ' NH2' ' C' ' 58' ' ' ARG . 1.2 t80 -67.37 -48.89 66.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.071 0.462 . . . . 10.0 110.579 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.733 ' HE ' ' HA ' ' D' ' 42' ' ' ALA . 3.9 mmt-85 -65.31 -38.61 90.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.945 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -69.11 -28.06 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.764 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.0 -33.98 68.51 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.916 0.388 . . . . 10.0 110.006 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -67.19 -44.73 78.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.004 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 32.4 p -70.96 -26.77 63.31 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -72.19 -45.86 58.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.595 -0.275 . . . . 10.0 111.651 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' THR . . . . . 0.794 HG21 HG11 ' C' ' 12' ' ' VAL . 2.1 m -67.37 -45.92 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.084 0.401 . . . . 10.0 112.084 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . 0.508 HG13 HD11 ' C' ' 9' ' ' LEU . 8.9 m -65.46 -28.85 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -82.76 -38.35 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.786 0.291 . . . . 10.0 111.786 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . 0.426 ' O ' HG13 ' C' ' 71' ' ' ILE . 72.4 t -70.83 -51.95 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -63.57 -38.39 90.94 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.034 0.753 . . . . 10.0 113.034 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -70.62 -34.71 72.4 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.739 -0.385 . . . . 10.0 111.698 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -34.01 77.16 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.892 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . 0.426 HG13 ' O ' ' C' ' 67' ' ' VAL . 64.1 mt -69.75 -44.38 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.075 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -64.77 -27.79 69.13 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.618 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.4 68.97 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.776 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.9 -44.13 61.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.441 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 13.8 mt -66.86 -38.35 81.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.009 0.433 . . . . 10.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 tp -66.69 -33.75 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.126 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -75.74 -23.89 56.08 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.288 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 . . . . . 0 C--O 1.233 0.194 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 177.886 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.544 0.211 . . . . 10.0 111.373 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.4 65.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.548 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -39.22 78.19 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.48 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -76.41 -28.83 56.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.27 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -64.93 -45.31 86.34 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.429 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 5.5 m -78.47 -26.04 45.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.349 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.18 -38.67 95.49 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 121.106 -0.569 . . . . 10.0 113.048 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.99 32.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.963 0.411 . . . . 10.0 111.247 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.09 -45.08 95.1 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.915 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -82.14 -13.6 56.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.419 . . . . 10.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -70.88 -27.49 63.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.052 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -61.38 -47.19 86.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.229 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -72.12 -26.01 61.95 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.658 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -71.81 -30.29 65.35 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.409 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.66 -44.11 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.546 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 37.4 p -70.53 -27.37 64.11 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.442 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -71.06 -42.11 69.87 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.973 0.416 . . . . 10.0 110.33 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.94 -23.89 58.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.821 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.537 HD12 ' HH ' ' D' ' 47' ' ' TYR . 51.8 tp -70.78 -38.57 73.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.154 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' B' ' 15' ' ' LYS . 0.8 OUTLIER -70.52 -41.83 72.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.381 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -24.67 61.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.439 0.533 . . . . 10.0 112.439 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.66 -53.05 14.84 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.549 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.61 -12.68 60.26 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.359 . . -98.35 8.72 44.46 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -136.62 108.3 9.26 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 114.15 -1.386 . . . . 10.0 107.364 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . 0.43 ' O ' HD13 ' B' ' 56' ' ' LEU . 97.5 Cg_exo -48.11 -74.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.155 2.57 . . . . 10.0 114.02 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -99.88 121.83 41.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -142.1 89.29 8.79 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 115.471 1.656 . . . . 10.0 115.471 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.482 ' HG2' ' HH ' ' C' ' 54' ' ' TYR . 17.8 Cg_endo -64.75 -45.28 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.817 1.678 . . . . 10.0 111.966 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.733 ' HA ' ' HE ' ' C' ' 58' ' ' ARG . . . -74.53 -51.05 15.78 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.36 -25.68 68.4 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -30.94 65.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.29 -39.54 64.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.912 0.387 . . . . 10.0 110.589 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.59 -35.87 68.02 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.39 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . 0.537 ' HH ' HD12 ' D' ' 31' ' ' LEU . 31.1 t80 -65.43 -44.96 85.7 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -68.53 -35.79 77.94 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 60.6 m -76.07 -41.44 50.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -77.83 -28.92 50.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 tp -72.2 -37.0 69.36 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.868 0.366 . . . . 10.0 110.303 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 83.7 p -73.87 -29.56 62.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.408 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -65.84 -37.09 85.29 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -69.23 -34.39 74.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.337 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -63.94 -49.44 72.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.923 -1.035 . . . . 10.0 111.826 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.42 -27.1 65.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.07 0.767 . . . . 10.0 113.07 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.65 -49.22 74.09 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.641 0.258 . . . . 10.0 111.587 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -70.53 -30.83 67.68 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -73.95 -37.0 64.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 10.0 111.114 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.68 -29.62 63.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.77 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -70.03 -39.33 75.84 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.175 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 32.7 p -71.59 -27.61 63.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.029 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -75.83 -37.44 59.04 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 7.9 p -69.14 -42.09 76.45 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 12.9 p -77.06 -22.08 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 29.9 tptp . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 111.985 0.365 . . . . 10.0 111.985 -179.521 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 121.024 0.44 . . . . 10.0 111.588 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -154.74 152.11 29.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.198 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.03 -175.22 36.94 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.813 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -67.89 -40.48 83.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.429 -0.385 . . . . 10.0 110.599 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.687 HD11 HG13 ' A' ' 65' ' ' VAL . 16.1 tp -71.15 -33.86 70.44 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.453 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -71.93 -27.85 63.08 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.429 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.84 -40.59 68.94 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.87 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.06 -36.15 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.016 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.3 t -66.45 -46.42 76.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.545 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.51 61.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.245 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -62.32 -46.84 86.92 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.033 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 20' ' ' VAL . 43.8 m-85 -72.23 -32.51 66.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.134 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -65.57 -51.32 60.65 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -69.89 -23.34 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.245 0.545 . . . . 10.0 109.748 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.59 -43.31 52.88 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.431 -0.804 . . . . 10.0 112.527 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 34.3 m -106.04 31.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.767 0.318 . . . . 10.0 111.429 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.02 -50.53 73.37 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.262 -0.427 . . . . 10.0 111.189 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -81.68 -15.79 53.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.194 0.521 . . . . 10.0 110.501 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.5 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.0 tm? -71.26 -39.99 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.314 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.12 -39.28 94.24 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.136 -0.484 . . . . 10.0 112.104 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -71.83 -25.8 62.12 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.576 -0.283 . . . . 10.0 111.19 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -73.58 -28.05 61.63 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.965 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 23' ' ' LEU . 39.6 t -69.93 -45.5 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-O 120.974 0.416 . . . . 10.0 110.04 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.6 p -73.95 -29.67 62.13 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.627 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -67.84 -41.88 82.26 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.032 0.444 . . . . 10.0 110.152 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.14 -23.82 54.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.888 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 tp -70.84 -40.55 72.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.412 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -70.27 -31.37 68.7 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.648 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 81.5 mttt -68.38 -44.32 75.38 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.967 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -25.82 68.2 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.88 -18.36 63.41 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.3 6.3 10.7 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.906 0.336 . . . . 10.0 111.906 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 45.2 mmtm -113.41 119.81 41.13 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-N 116.695 -0.23 . . . . 10.0 111.567 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.84 -66.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.935 2.424 . . . . 10.0 111.14 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 p -120.86 125.2 46.91 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.775 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -136.89 97.45 11.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 112.753 0.649 . . . . 10.0 112.753 -178.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.65 -43.63 9.73 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.578 2.185 . . . . 10.0 112.165 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.24 -39.79 53.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.155 -0.475 . . . . 10.0 112.055 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.775 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.2 mm? -71.74 -20.37 61.9 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -71.1 -41.04 71.13 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.014 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.12 -30.88 68.18 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.476 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.8 -45.0 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.986 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -71.8 -36.25 70.23 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 111.821 0.304 . . . . 10.0 111.821 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -40.84 97.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.5 t -75.04 -41.39 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.401 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -69.09 -34.78 75.65 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.588 0.588 . . . . 10.0 112.588 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.03 -35.59 61.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.825 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.8 p -72.21 -32.33 66.66 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.913 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.48 -36.15 78.53 Favored 'General case' 0 C--N 1.333 -0.118 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -64.69 -31.01 72.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.341 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -66.31 -43.51 86.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.185 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.05 -28.77 63.56 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.396 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.01 -50.98 66.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.806 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -30.64 69.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.384 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.87 -32.02 65.12 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.351 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.92 -37.63 70.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.807 0.336 . . . . 10.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -72.95 -39.7 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.394 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.4 p -71.24 -30.53 66.44 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -75.02 -35.51 61.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.087 0.403 . . . . 10.0 112.087 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 p -70.12 -38.67 75.65 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 9' ' ' LEU . 28.6 m -75.8 -22.15 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.732 0.301 . . . . 10.0 111.038 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.481 ' HE2' ' HA ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -75.48 -48.3 23.27 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -179.385 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.61 -36.36 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -67.54 -34.25 76.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.455 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -74.3 -34.81 63.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.616 0.599 . . . . 10.0 112.616 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -60.74 -49.12 78.79 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 123.187 0.305 . . . . 10.0 110.85 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.634 HD11 HH11 ' C' ' 58' ' ' ARG . 0.1 OUTLIER -61.39 -36.95 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.718 ' HA ' HD13 ' A' ' 75' ' ' ILE . 6.2 t70 -67.64 -25.74 65.88 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.07 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.052 0.453 . . . . 10.0 109.869 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.7 64.27 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.545 0.688 . . . . 10.0 109.439 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.718 HD13 ' HA ' ' A' ' 72' ' ' ASP . 1.6 mt -57.97 -55.83 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 114.331 -1.304 . . . . 10.0 111.915 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 72' ' ' ASP 0.254 2.0 pp -76.38 -14.67 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 114.339 1.237 . . . . 10.0 114.339 -178.741 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -36.27 75.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.812 0.671 . . . . 10.0 112.812 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -92.99 -17.65 23.65 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.089 0.471 . . . . 10.0 110.989 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.675 ' HE1' ' CD2' ' D' ' 47' ' ' TYR . 0.6 OUTLIER -76.94 154.48 33.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.981 179.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.69 ' HD3' HD21 ' D' ' 51' ' ' LEU . 2.9 ttt180 . . . . . 0 N--CA 1.443 -0.808 0 CA-C-O 117.592 -1.194 . . . . 10.0 109.075 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.304 -0.319 . . . . 10.0 112.304 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -67.21 -44.55 79.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.593 0.235 . . . . 10.0 111.259 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -31.05 67.84 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.951 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -72.24 -28.56 63.23 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.618 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.55 -43.76 65.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.796 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.752 HG11 HG21 ' B' ' 64' ' ' THR . 12.0 t -68.75 -32.11 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.765 0.317 . . . . 10.0 111.192 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.0 t -66.93 -45.51 77.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.325 -0.398 . . . . 10.0 109.989 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.19 -22.11 60.53 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.808 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -62.39 -44.79 95.61 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.918 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.451 ' O ' HG23 ' B' ' 20' ' ' VAL . 33.7 m-85 -75.8 -32.23 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.025 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.0 -51.73 55.75 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 10.0 m -68.36 -23.27 64.66 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.596 -0.891 . . . . 10.0 108.596 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.21 -51.17 23.85 Favored Glycine 0 N--CA 1.438 -1.178 0 CA-C-N 114.789 -1.096 . . . . 10.0 112.408 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.485 ' HB ' ' HB3' ' B' ' 23' ' ' LEU . 35.7 m -97.17 31.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 10.0 111.783 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.78 -49.2 78.46 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.032 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -83.84 -15.97 46.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.171 0.51 . . . . 10.0 110.478 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.485 ' HB3' ' HB ' ' B' ' 20' ' ' VAL . 1.8 tm? -71.64 -40.05 69.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.621 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -60.72 -40.54 92.72 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.944 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.4 t -73.19 -25.75 60.9 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.325 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -73.26 -28.05 61.91 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.209 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 23' ' ' LEU . 44.7 t -72.18 -44.97 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.882 0.372 . . . . 10.0 110.168 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.9 p -72.45 -28.75 63.13 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.103 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -68.87 -40.84 79.06 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.04 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.35 -24.14 54.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.859 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 38.9 tp -72.28 -40.63 67.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.526 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -70.14 -31.29 68.73 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.53 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -69.32 -38.96 78.46 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.765 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -26.22 66.79 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.18 -0.464 . . . . 10.0 112.076 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.42 -12.27 60.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.405 -0.362 . . . . 10.0 111.381 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.32 6.2 11.18 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.59 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -118.67 121.06 31.11 Favored Pre-proline 0 C--N 1.332 -0.184 0 N-CA-C 111.721 0.267 . . . . 10.0 111.721 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.49 -53.63 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.901 2.401 . . . . 10.0 110.992 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 36.5 p -135.11 124.58 24.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.363 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.663 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -137.24 96.96 10.93 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -179.164 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.32 -41.33 16.26 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.606 2.204 . . . . 10.0 112.229 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.74 -41.49 53.15 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.057 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.663 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.7 mm? -71.8 -20.59 61.83 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.877 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' B' ' 40' ' ' ASP . 1.5 tt -72.63 -40.35 66.5 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.08 -31.27 65.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.445 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.44 62.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.664 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -70.83 -33.74 70.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.069 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -40.41 95.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.809 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 42.3 t -76.01 -38.91 56.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -70.71 -39.42 73.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.0 tp -72.29 -32.41 66.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.03 0.443 . . . . 10.0 110.304 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 59.7 p -74.43 -29.23 61.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.301 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.495 ' HA ' HD22 ' B' ' 56' ' ' LEU . 51.3 mt-10 -72.3 -35.02 68.57 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 177.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.14 -30.01 70.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.584 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.65 -45.19 83.9 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.307 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' B' ' 53' ' ' GLU . 0.6 OUTLIER -69.72 -28.83 66.15 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.874 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.3 -52.65 61.08 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.59 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -25.64 64.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.012 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -77.34 -30.68 54.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.998 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.67 -52.2 27.82 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -59.01 -43.87 91.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.292 -0.867 . . . . 10.0 111.858 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 88.3 p -63.97 -43.88 94.44 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 13.6 m-80 -71.08 -33.39 70.17 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.295 0.48 . . . . 10.0 112.295 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.752 HG21 HG11 ' B' ' 12' ' ' VAL . 16.9 m -65.91 -50.33 64.81 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.835 0.35 . . . . 10.0 111.281 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 m -73.15 -14.08 16.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -75.21 -51.28 13.71 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.509 ' HB ' ' HD2' ' A' ' 80' ' ' ARG 0.264 96.6 t -81.63 -28.15 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 113.433 0.901 . . . . 10.0 113.433 -179.307 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -70.02 -36.86 75.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.63 0.252 . . . . 10.0 110.655 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . 0.742 ' HE2' ' HA ' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -73.03 -35.2 66.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.536 179.258 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -64.71 -48.73 73.58 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.964 0.411 . . . . 10.0 111.037 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.463 ' O ' HG13 ' B' ' 75' ' ' ILE . 10.7 tp -65.73 -30.56 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.353 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . 0.525 ' HA ' HD13 ' B' ' 75' ' ' ILE . 32.9 t70 -72.5 -29.5 63.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.636 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.02 95.34 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.0 -32.24 73.34 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.873 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' B' ' 72' ' ' ASP . 59.2 mt -60.7 -49.58 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.099 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.43 -27.03 41.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.869 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.63 -35.99 79.96 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -98.93 0.72 44.63 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.947 0.403 . . . . 10.0 111.633 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.548 -179.577 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.795 0.331 . . . . 10.0 110.731 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -144.09 152.81 41.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.003 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.93 -177.64 43.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.657 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.87 -39.21 87.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.836 0.351 . . . . 10.0 110.671 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.85 -32.61 71.08 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.324 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.02 -29.47 65.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.015 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.19 -37.52 69.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.317 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 29.3 t -70.31 -39.29 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.422 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -65.18 -45.42 84.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.514 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.21 -22.62 61.99 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.166 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -61.78 -45.02 95.69 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.632 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . 0.497 ' O ' HG23 ' C' ' 20' ' ' VAL . 59.5 m-85 -77.1 -32.82 56.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.71 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -64.2 -44.16 92.83 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -76.18 -26.3 56.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.893 0.377 . . . . 10.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.82 -40.03 64.7 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.047 -0.596 . . . . 10.0 112.554 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.497 HG23 ' O ' ' C' ' 16' ' ' PHE . 33.8 m -105.22 30.65 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-O 120.791 0.329 . . . . 10.0 111.557 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.84 -54.34 46.28 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.026 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . 0.431 ' O ' HG23 ' C' ' 25' ' ' THR . 7.5 t-20 -82.4 -15.62 52.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.275 0.559 . . . . 10.0 110.402 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.72 -40.44 72.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.228 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.31 -36.05 82.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.814 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.431 HG23 ' O ' ' C' ' 22' ' ' ASN . 5.5 t -71.48 -25.96 62.5 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.119 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -75.39 -26.19 58.25 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.617 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.87 -44.66 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.111 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.851 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 36.9 p -77.28 -27.25 53.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.564 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.85 -43.4 79.59 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.935 0.398 . . . . 10.0 110.441 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.3 -24.06 50.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.434 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . 0.432 HD12 ' HH ' ' C' ' 47' ' ' TYR . 22.4 tp -70.64 -40.59 72.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.126 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.83 -30.7 67.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.827 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' C' ' 37' ' ' LYS . 81.4 mttt -68.36 -48.72 64.04 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.789 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -25.35 67.2 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.028 -0.533 . . . . 10.0 112.258 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.93 -31.32 66.71 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.24 24.82 5.89 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 113.416 0.895 . . . . 10.0 113.416 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' C' ' 33' ' ' LYS . 35.9 mmtm -114.97 111.95 44.93 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.115 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.05 -68.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.778 2.319 . . . . 10.0 112.659 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 37.1 p -128.14 124.52 37.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.331 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . 0.564 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.4 OUTLIER -137.19 98.86 10.09 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.882 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.34 -38.67 25.53 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.628 2.219 . . . . 10.0 112.306 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.03 -41.93 49.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.924 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.2 mm? -72.46 -20.64 61.36 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 -39.4 80.04 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.678 0.275 . . . . 10.0 110.479 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.03 -30.64 62.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.458 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.24 -42.55 65.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.056 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . 0.432 ' HH ' HD12 ' C' ' 31' ' ' LEU . 43.3 t80 -71.41 -34.92 70.77 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.183 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -66.06 -39.93 90.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.86 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.3 t -74.64 -39.15 62.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.55 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -69.84 -35.85 75.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 tp -75.32 -34.39 61.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.257 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 91.3 p -75.32 -29.9 60.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.036 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.76 -35.87 79.49 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 107.893 -1.151 . . . . 10.0 107.893 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . 0.786 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 14.4 t80 -66.37 -26.66 67.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 114.322 -1.308 . . . . 10.0 108.949 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -65.1 -50.13 67.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.922 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.92 -26.62 60.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -59.79 -54.11 50.06 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.634 HH11 HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -69.68 -33.58 72.75 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 111.777 0.288 . . . . 10.0 111.777 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -67.39 -31.78 72.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.04 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.63 -33.15 58.37 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.887 0.375 . . . . 10.0 110.689 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . 0.583 ' O ' HG22 ' C' ' 65' ' ' VAL . 46.8 tt0 -71.11 -50.0 38.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.994 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 95.3 p -64.23 -28.31 69.65 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.575 0.226 . . . . 10.0 111.154 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -69.24 -44.19 72.48 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.535 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 20.9 p -66.03 -37.15 85.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 10.0 112.011 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . 0.583 HG22 ' O ' ' C' ' 61' ' ' GLN . 3.1 t -65.97 -42.64 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.915 0.388 . . . . 10.0 110.088 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . 0.479 ' HA ' ' HE2' ' C' ' 66' ' ' LYS . 0.3 OUTLIER -67.17 -47.69 70.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.974 0.731 . . . . 10.0 112.974 -178.613 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.44 -48.9 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 113.672 0.99 . . . . 10.0 113.672 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -65.47 -32.37 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 25.9 mmmt -73.36 -34.08 65.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.519 0.562 . . . . 10.0 112.519 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.67 -48.84 78.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.754 0.312 . . . . 10.0 111.274 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 13.9 tt -68.0 -33.56 61.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.578 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.2 -32.14 73.01 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.013 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.5 96.95 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.294 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.23 68.67 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.676 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.83 -49.46 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.341 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 31.9 mm -70.49 -21.8 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.613 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -65.18 -39.43 92.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.013 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.89 178.75 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 37.3 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.736 0.303 . . . . 10.0 110.73 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.81 61.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.493 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -64.56 -39.63 94.09 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.773 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . 0.449 ' O ' HG23 ' D' ' 20' ' ' VAL . 47.4 m-85 -77.28 -37.86 51.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.691 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -64.92 -44.62 88.91 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -79.12 -28.87 42.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.349 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.33 -41.78 96.43 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.027 -0.606 . . . . 10.0 112.827 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . 0.449 HG23 ' O ' ' D' ' 16' ' ' PHE . 34.3 m -112.72 33.72 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.019 0.438 . . . . 10.0 111.391 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.64 -43.04 89.6 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.379 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -79.45 -18.44 52.12 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.73 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.22 -34.58 70.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.319 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -65.31 -41.24 94.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.167 -0.469 . . . . 10.0 112.027 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 15.4 t -72.42 -25.56 61.52 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.389 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -71.46 -30.65 66.25 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.16 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.76 -41.25 61.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.443 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 35.7 p -74.09 -26.63 60.47 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.964 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -72.29 -39.8 68.04 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.11 -23.9 59.38 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.262 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.454 HD11 ' HH ' ' D' ' 47' ' ' TYR . 2.1 tp -66.23 -43.66 86.0 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.59 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.91 -31.82 68.57 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.375 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -69.27 -44.09 72.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.087 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -25.77 66.87 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.762 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.93 -40.12 66.46 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 113.052 0.76 . . . . 10.0 113.052 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.24 25.97 7.58 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.378 0.881 . . . . 10.0 113.378 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.15 103.2 52.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.155 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.06 -73.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.829 2.353 . . . . 10.0 112.734 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -85.04 141.04 30.56 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.662 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 27.5 m-20 -135.26 72.71 65.61 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 115.722 1.749 . . . . 10.0 115.722 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.786 ' HB2' ' HH ' ' C' ' 54' ' ' TYR . 46.3 Cg_endo -70.38 -51.37 0.34 Allowed 'Trans proline' 0 CA--C 1.518 -0.292 0 C-N-CA 121.428 1.419 . . . . 10.0 111.334 176.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.32 -41.47 22.02 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.426 -1.261 . . . . 10.0 110.98 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.23 -19.62 65.88 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 115.183 -0.917 . . . . 10.0 112.928 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.662 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.7 OUTLIER -72.42 -49.57 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.48 -33.34 63.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.74 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.06 -53.6 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.16 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . 0.675 ' CD2' ' HE1' ' A' ' 79' ' ' PHE . 5.6 t80 -72.43 -43.76 63.37 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.762 1.023 . . . . 10.0 113.762 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . 0.469 ' HB2' HD12 ' D' ' 44' ' ' LEU . 0.9 OUTLIER -60.34 -44.31 95.65 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.852 0.316 . . . . 10.0 111.852 -179.292 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 38.2 t -67.74 -48.78 65.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -68.15 -28.91 67.71 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . 0.69 HD21 ' HD3' ' A' ' 80' ' ' ARG . 5.9 tt -75.11 -43.21 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.322 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 79.8 p -69.36 -29.67 67.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.931 0.396 . . . . 10.0 110.157 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.84 -35.87 77.47 Favored 'General case' 0 CA--C 1.523 -0.063 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -60.26 -33.64 72.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.21 -0.904 . . . . 10.0 109.465 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.88 -50.95 68.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.056 -0.975 . . . . 10.0 110.956 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.83 -26.44 60.6 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -59.92 -49.99 75.51 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.714 0.293 . . . . 10.0 111.4 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -32.85 69.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.119 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.55 -27.88 65.52 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.656 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.24 -41.78 66.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.642 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . 0.522 ' O ' HG22 ' D' ' 65' ' ' VAL . 38.6 tt0 -73.26 -37.17 66.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.476 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 91.6 p -69.47 -31.36 69.6 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.1 0.407 . . . . 10.0 112.1 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -74.21 -37.17 63.95 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 19.1 p -69.09 -37.85 78.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . 0.522 HG22 ' O ' ' D' ' 61' ' ' GLN . 38.7 t -70.75 -33.01 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.871 0.367 . . . . 10.0 110.424 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 tptp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 10.0 112.41 -178.703 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 89.1 t90 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 109.681 -0.489 . . . . 10.0 109.681 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -158.68 129.2 6.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.794 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.93 177.9 16.51 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.007 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -30.88 71.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.716 0.293 . . . . 10.0 110.569 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -72.93 -29.54 63.2 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.116 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -72.56 -30.26 64.27 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.151 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -70.06 -36.62 75.1 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.974 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -74.74 -30.61 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.902 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -73.62 -29.73 62.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 10.0 110.237 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.79 -40.16 55.67 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.665 . . . . 10.0 112.448 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' C' ' 35' ' ' ALA . 0.0 OUTLIER -64.69 -37.5 87.8 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 -179.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 20' ' ' VAL . 9.5 m-85 -76.58 -29.26 56.54 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.931 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -65.77 -52.54 50.09 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 113.01 0.745 . . . . 10.0 113.01 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -73.22 -22.87 60.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.427 0.632 . . . . 10.0 109.504 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.29 -52.66 41.98 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 114.991 -1.004 . . . . 10.0 113.75 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 16' ' ' PHE . 15.5 m -105.6 31.43 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.927 0.394 . . . . 10.0 110.999 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.31 -55.97 17.68 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.601 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.41 -11.75 59.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.276 0.56 . . . . 10.0 110.616 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.0 tm? -68.53 -33.38 74.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.516 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -59.05 -46.83 87.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.99 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -70.06 -26.47 64.03 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.537 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -70.21 -30.35 67.42 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.021 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 23' ' ' LEU . 47.8 t -68.41 -46.53 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-O 120.864 0.364 . . . . 10.0 110.231 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.4 p -71.01 -26.73 63.25 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.825 -0.625 . . . . 10.0 112.067 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -73.82 -43.97 57.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.58 -0.282 . . . . 10.0 111.227 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.28 -26.02 62.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.774 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.2 tp -73.08 -36.57 66.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.203 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -70.6 -37.95 73.95 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.074 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -30.9 68.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.48 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.86 -25.92 48.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.359 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.14 73.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.855 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.29 -9.44 45.06 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -108.36 128.38 25.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.261 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.48 -72.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.773 2.315 . . . . 10.0 112.08 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 m -133.51 123.99 26.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 10.0 110.798 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' CB ' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -137.73 118.0 10.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.084 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.2 -39.25 31.6 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.604 2.202 . . . . 10.0 112.237 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.74 -40.81 54.83 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.98 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 40' ' ' ASP . 3.9 mm? -71.68 -25.48 62.12 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 tp -73.63 -37.21 65.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.785 0.326 . . . . 10.0 110.247 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.14 -29.18 61.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.62 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -44.08 71.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.596 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -72.03 -33.6 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.811 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.25 -47.77 78.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.335 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.0 p -69.15 -39.39 78.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.309 -0.405 . . . . 10.0 112.014 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -69.81 -34.11 73.24 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.192 0.442 . . . . 10.0 112.192 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.5 tp -75.1 -30.07 60.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.927 0.394 . . . . 10.0 110.216 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.1 m -74.57 -30.0 61.56 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.647 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -69.39 -36.57 76.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.666 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.38 -32.75 73.05 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.391 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.3 -39.53 89.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.105 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.89 -28.31 61.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.802 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.86 -49.44 62.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.86 0.362 . . . . 10.0 110.339 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.63 -35.81 70.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.41 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -71.65 -39.59 70.23 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.586 0.588 . . . . 10.0 112.586 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.85 -31.19 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.596 0.236 . . . . 10.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -75.17 -38.33 60.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.035 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.5 p -71.25 -28.27 64.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.832 0.349 . . . . 10.0 110.921 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -73.84 -36.59 64.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.512 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p -69.64 -39.27 77.21 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.576 0.584 . . . . 10.0 112.576 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.22 -29.73 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 10.0 110.309 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -48.24 36.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.755 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 71' ' ' ILE . 45.0 t -70.12 -48.66 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 66.0 t80 -54.84 -42.77 72.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 69' ' ' LYS . 24.6 mmtm -72.11 -34.49 68.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.55 -30.82 71.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.099 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.57 HG12 HD21 ' C' ' 55' ' ' ASN . 4.4 mt -72.15 -47.48 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -56.81 -39.15 73.63 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.038 -0.983 . . . . 10.0 111.721 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.05 65.66 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.972 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.0 67.01 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.55 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 71' ' ' ILE . 2.9 mt -66.83 -36.73 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.216 0.531 . . . . 10.0 109.945 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.0 mt -60.95 -43.68 96.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.322 -0.853 . . . . 10.0 110.297 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.7 -31.06 66.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.475 -0.784 . . . . 10.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.55 -13.17 60.98 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.187 0.518 . . . . 10.0 110.184 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.4 ' CZ ' HD22 ' D' ' 51' ' ' LEU . 4.8 t80 -81.22 105.03 12.1 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.433 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.465 ' O ' HG23 ' B' ' 67' ' ' VAL . 7.1 tpt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.083 -0.96 . . . . 10.0 111.374 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.878 -0.489 . . . . 10.0 111.878 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -34.21 77.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.675 0.274 . . . . 10.0 111.008 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -72.2 -27.68 62.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.173 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.48 -32.65 66.4 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.179 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -70.99 -35.7 72.19 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.193 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.453 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 57.0 t -73.13 -32.87 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.868 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -73.63 -28.15 61.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.025 0.441 . . . . 10.0 109.948 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.17 -39.81 53.99 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.642 -0.708 . . . . 10.0 112.129 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.663 ' HZ2' ' HB3' ' D' ' 34' ' ' LEU . 7.0 ptmt -66.06 -38.95 89.61 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.902 0.382 . . . . 10.0 111.753 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.418 ' HB3' ' CE1' ' B' ' 57' ' ' TYR . 13.9 m-85 -74.41 -27.0 60.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.207 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.78 -53.39 57.92 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -73.88 -21.72 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.264 -1.013 . . . . 10.0 108.264 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.68 -52.13 53.8 Favored Glycine 0 CA--C 1.498 -1.018 0 CA-C-N 114.131 -1.395 . . . . 10.0 115.045 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.749 HG13 HD21 ' B' ' 23' ' ' LEU . 17.7 m -117.85 28.84 2.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.165 0.507 . . . . 10.0 110.593 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.451 ' HA ' HE21 ' B' ' 24' ' ' GLN . 28.9 t70 -63.06 -53.51 52.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.29 -0.868 . . . . 10.0 112.165 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -26.29 47.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.569 0.951 . . . . 10.0 113.569 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.749 HD21 HG13 ' B' ' 20' ' ' VAL 0.259 4.1 pp -71.03 -20.49 62.38 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.451 HE21 ' HA ' ' B' ' 21' ' ' ASP . 45.2 mt-30 -56.96 -49.24 76.29 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.035 0.445 . . . . 10.0 110.365 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.7 t -72.06 -26.23 62.1 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.535 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -69.51 -27.36 65.12 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.745 178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.55 HG22 ' O ' ' B' ' 23' ' ' LEU . 95.4 t -70.14 -46.62 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.0 p -70.91 -25.74 62.9 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.616 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.35 -43.94 54.45 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.113 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.47 -28.11 63.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 61.1 tp -72.95 -36.26 67.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.643 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.26 -43.12 82.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -71.79 -23.96 61.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.922 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -77.16 -30.97 55.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.961 0.41 . . . . 10.0 110.022 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.81 -22.59 56.17 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.993 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.95 -21.08 25.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.079 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -101.39 138.98 20.06 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.872 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -64.29 -66.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.562 2.175 . . . . 10.0 110.977 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -143.34 123.87 14.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.883 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.03 112.9 9.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.301 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.97 -31.63 66.28 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.531 2.154 . . . . 10.0 111.98 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.66 -42.13 52.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.188 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.27 -24.48 61.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.785 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 tp -72.72 -38.88 67.33 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 120.712 0.291 . . . . 10.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.58 -28.76 62.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.265 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.91 -44.77 69.0 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.976 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -71.46 -33.38 69.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.525 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.53 -49.65 70.44 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.358 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 77.7 p -67.64 -38.99 84.63 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -71.32 -38.0 71.72 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.34 -33.69 71.77 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.292 0.567 . . . . 10.0 109.803 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.6 m -73.17 -28.07 62.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.387 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.15 -36.45 74.75 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.11 -0.496 . . . . 10.0 109.925 177.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -67.7 -28.76 67.94 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.86 -28.75 63.75 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.737 -1.119 . . . . 10.0 109.159 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.92 -34.73 71.81 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.738 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' B' ' 16' ' ' PHE . 19.5 t80 -69.16 -51.43 38.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.82 -0.627 . . . . 10.0 112.188 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -72.24 -29.76 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.506 0.928 . . . . 10.0 113.506 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -78.25 -45.92 21.65 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.48 73.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.595 0.236 . . . . 10.0 111.012 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -70.04 -41.27 74.43 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 90.1 p -69.18 -23.98 64.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.921 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.55 ' O ' HG22 ' B' ' 67' ' ' VAL . 1.8 m-20 -75.98 -45.37 35.1 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.195 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.7 m -65.4 -40.64 93.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 10.0 112.028 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.86 -32.34 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.076 0.465 . . . . 10.0 110.615 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -73.36 -41.03 63.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.916 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.568 ' O ' HG13 ' B' ' 71' ' ' ILE . 56.5 t -67.22 -53.15 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.03 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . 0.637 ' HA ' HD13 ' B' ' 71' ' ' ILE . 37.6 t80 -56.03 -38.89 71.17 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -70.54 -35.41 73.12 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.959 0.355 . . . . 10.0 111.959 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -71.28 -29.45 65.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.867 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' B' ' 68' ' ' PHE . 38.2 mt -68.57 -49.68 63.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.635 -0.505 . . . . 10.0 109.635 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -65.44 -36.79 84.97 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.544 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.97 73.41 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.64 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -38.22 73.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.157 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 13.7 mt -69.15 -37.61 76.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.05 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.29 -36.98 78.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.021 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -76.62 -26.79 55.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.341 -0.391 . . . . 10.0 111.277 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -79.49 -15.11 58.33 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.814 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.265 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 56.4 t90 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.893 0.378 . . . . 10.0 109.997 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m -152.55 134.96 15.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.75 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.78 -178.63 15.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.852 -0.69 . . . . 10.0 111.974 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -31.5 72.4 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.648 0.261 . . . . 10.0 111.608 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.435 ' H ' HD22 ' C' ' 9' ' ' LEU . 1.5 pt? -72.46 -30.42 64.54 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.115 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -72.3 -32.47 66.6 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.08 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -70.39 -36.53 74.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.729 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -73.46 -31.84 34.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.714 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -74.0 -27.45 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.578 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.47 59.01 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.926 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -68.19 -33.01 73.65 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.648 -0.251 . . . . 10.0 111.464 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . 0.487 ' HB3' ' HE1' ' C' ' 57' ' ' TYR . 8.8 m-85 -77.82 -32.41 52.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.126 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.57 -50.74 64.04 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.539 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -75.93 -24.17 55.5 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.82 -43.96 95.4 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.536 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 27.6 m -112.13 29.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.693 0.282 . . . . 10.0 111.336 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.02 -56.02 25.94 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.325 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.43 -8.84 59.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.086 0.47 . . . . 10.0 110.88 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.51 -33.12 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.004 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -59.3 -44.93 92.49 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.652 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -71.08 -26.51 63.09 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.53 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -70.52 -28.66 65.11 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.797 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -69.94 -45.76 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.081 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 35.2 p -72.22 -24.71 61.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.903 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.59 -46.48 54.05 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.534 -0.303 . . . . 10.0 110.988 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.37 -24.2 61.23 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.094 0.474 . . . . 10.0 110.206 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.56 -43.91 79.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.83 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.22 -33.97 70.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.735 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -40.78 83.03 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.072 0.397 . . . . 10.0 112.072 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 35.0 tp -75.94 -24.72 55.5 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . 0.552 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . . . -49.85 -45.97 50.89 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . 0.273 . . -111.24 24.66 12.59 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 114.81 1.411 . . . . 10.0 114.81 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . 0.403 ' HB3' ' OD1' ' C' ' 40' ' ' ASP . 1.0 OUTLIER -117.94 109.07 41.6 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 176.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -43.67 -68.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.875 3.05 . . . . 10.0 113.778 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 66.0 m -147.03 124.03 11.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.858 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . 0.426 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 5.2 m-20 -137.11 118.89 11.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.668 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.68 -36.31 53.1 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.519 2.146 . . . . 10.0 111.867 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.63 -39.25 58.11 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.784 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.426 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.1 mm? -72.37 -28.53 63.07 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.3 -38.98 68.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.464 -0.335 . . . . 10.0 110.653 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.1 -29.22 61.74 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.761 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.04 66.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.956 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -71.33 -34.01 70.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.946 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -63.23 -45.71 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.07 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 59.1 p -70.83 -39.0 73.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 10.0 112.062 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -69.97 -34.91 73.99 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -75.4 -31.55 60.47 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.765 0.317 . . . . 10.0 110.773 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 66.6 m -74.75 -29.92 61.31 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.429 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.91 -36.38 83.22 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . 0.433 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 70.9 t80 -68.83 -34.26 75.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.161 -0.927 . . . . 10.0 109.231 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . 0.57 HD21 HG12 ' A' ' 71' ' ' ILE . 28.5 t-20 -64.65 -46.16 83.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.147 -0.933 . . . . 10.0 111.311 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.43 -28.49 61.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . 0.487 ' HE1' ' HB3' ' C' ' 16' ' ' PHE . 0.2 OUTLIER -64.97 -47.97 75.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 10.0 110.982 179.383 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.454 ' NH2' ' HB3' ' C' ' 61' ' ' GLN . 1.3 mmp_? -78.93 -33.45 45.38 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -67.35 -32.95 74.24 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.845 -0.342 . . . . 10.0 111.149 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.87 -31.09 56.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.597 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . 0.454 ' HB3' ' NH2' ' C' ' 58' ' ' ARG . 45.8 tt0 -74.67 -37.55 62.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 52.1 p -71.15 -30.79 66.9 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.831 0.348 . . . . 10.0 110.144 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -75.23 -39.12 60.26 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.782 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 11.7 p -67.77 -37.97 82.8 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.666 0.247 . . . . 10.0 111.666 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 82.5 t -69.88 -33.77 57.25 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.103 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -74.39 -43.17 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . 0.425 ' O ' HG13 ' C' ' 71' ' ' ILE . 78.8 t -70.36 -48.36 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -60.96 -43.39 98.81 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.378 0.511 . . . . 10.0 112.378 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -66.75 -34.48 77.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.681 -0.236 . . . . 10.0 111.296 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -31.04 71.37 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.462 -0.336 . . . . 10.0 111.064 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . 0.425 HG13 ' O ' ' C' ' 67' ' ' VAL . 74.7 mt -69.29 -42.81 81.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 65.4 m-20 -67.54 -31.96 72.42 Favored 'General case' 0 C--N 1.335 -0.049 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.854 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.81 56.85 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.793 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.68 -46.09 48.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 10.0 110.837 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 51.7 mt -71.41 -30.98 41.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.623 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' C' ' 72' ' ' ASP . 1.7 tp -69.12 -34.14 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -83.64 -19.53 35.24 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.769 0.319 . . . . 10.0 111.266 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 . . . . . 0 C--O 1.231 0.115 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.035 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.68 0.276 . . . . 10.0 111.272 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.79 -42.74 57.57 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.64 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -28.65 65.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.484 -0.326 . . . . 10.0 111.578 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . 0.471 ' HB3' ' HE1' ' D' ' 57' ' ' TYR . 2.5 m-85 -77.96 -37.46 47.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.007 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.16 -50.2 66.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.429 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -75.22 -23.96 57.66 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.82 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.07 -43.13 96.15 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.916 -0.584 . . . . 10.0 112.84 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 31.1 m -115.02 32.24 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 10.0 111.152 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.4 -51.81 68.31 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.541 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -10.88 58.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.169 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -25.86 62.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.762 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -65.51 -45.67 82.62 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.43 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -72.47 -25.93 61.61 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.548 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -70.88 -30.42 66.78 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.434 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.0 t -72.16 -43.36 66.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.359 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -69.26 -28.08 66.0 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.5 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.31 -32.31 55.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.091 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.86 78.09 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.452 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.92 -34.48 66.63 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.78 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.08 -46.68 88.77 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.496 0.498 . . . . 10.0 111.374 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -71.24 -25.77 62.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.382 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.663 ' HB3' ' HZ2' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -76.34 -23.48 54.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.322 179.494 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.41 -55.27 35.71 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.792 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.477 . . -98.06 26.35 5.34 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 115.536 1.68 . . . . 10.0 115.536 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -136.6 100.75 10.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 105.928 -1.879 . . . . 10.0 105.928 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -69.0 -74.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.77 2.314 . . . . 10.0 115.233 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 13.6 m -93.26 124.07 36.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.782 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 6.5 m-20 -139.41 119.69 9.41 Favored Pre-proline 0 N--CA 1.446 -0.639 0 N-CA-C 114.194 1.183 . . . . 10.0 114.194 -177.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.445 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 53.0 Cg_endo -73.42 -50.57 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.488 2.125 . . . . 10.0 110.709 176.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.79 -52.57 6.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.396 -1.274 . . . . 10.0 112.423 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.55 -23.0 67.2 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.31 1.226 . . . . 10.0 114.31 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.782 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -73.79 -37.55 64.91 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.07 0.462 . . . . 10.0 109.868 179.081 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.86 65.83 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.09 -0.959 . . . . 10.0 111.237 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.94 83.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.686 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -72.47 -33.14 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.832 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -62.05 -52.42 64.0 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 45.3 p -68.95 -38.95 79.74 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -69.19 -31.67 70.44 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . 0.4 HD22 ' CZ ' ' A' ' 79' ' ' PHE . 17.0 tp -74.83 -31.82 61.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.841 0.353 . . . . 10.0 110.33 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 50.9 m -74.7 -29.12 61.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.47 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.26 -36.54 81.81 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -67.25 -31.51 71.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.188 -0.914 . . . . 10.0 109.749 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . 0.486 HD21 HG12 ' B' ' 71' ' ' ILE . 28.5 t-20 -62.28 -50.46 71.59 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.304 -0.862 . . . . 10.0 112.232 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' D' ' 56' ' ' LEU . 1.3 mm? -73.91 -27.16 60.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . 0.471 ' HE1' ' HB3' ' D' ' 16' ' ' PHE . 8.3 t80 -60.13 -44.9 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 10.0 110.506 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -81.35 -31.5 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 10.0 112.483 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -72.12 -42.72 65.74 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.656 0.265 . . . . 10.0 111.574 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.64 -29.93 65.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.154 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . 0.404 ' O ' HG22 ' D' ' 65' ' ' VAL . 46.0 tt0 -73.74 -40.19 63.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.238 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 90.3 p -71.77 -26.88 62.62 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.267 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -73.91 -38.42 64.35 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.626 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 9.8 p -67.47 -37.47 82.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.788 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . 0.404 HG22 ' O ' ' D' ' 61' ' ' GLN . 31.7 t -71.99 -34.05 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 120.89 0.376 . . . . 10.0 110.406 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.0 tptp . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.862 -179.492 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.498 ' HZ3' ' HB3' ' D' ' 38' ' ' PRO . 79.8 m95 . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 120.613 0.244 . . . . 10.0 111.321 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -144.56 116.95 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 10.0 111.326 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.83 -177.15 38.97 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.758 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -67.11 -43.53 82.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.897 0.348 . . . . 10.0 111.283 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 tp -75.49 -38.4 59.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.137 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.17 -36.82 85.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -70.45 -36.05 73.7 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.973 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.96 -38.97 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.714 0.292 . . . . 10.0 111.014 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 m -65.62 -47.4 75.76 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.738 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -21.92 60.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.995 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -63.53 -54.56 34.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.922 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.414 ' O ' HG23 ' A' ' 20' ' ' VAL . 68.6 m-85 -75.98 -30.6 58.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.67 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -51.01 63.38 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -79.15 -23.46 43.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.963 0.411 . . . . 10.0 110.22 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.05 -47.66 71.74 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-N 115.694 -0.684 . . . . 10.0 112.831 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 16' ' ' PHE . 27.7 m -116.9 32.66 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.18 -47.83 82.74 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.499 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -80.48 -12.57 59.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.249 0.547 . . . . 10.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.3 -30.92 71.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.231 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.55 -45.74 90.92 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.7 t -70.84 -25.94 63.06 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.519 -0.309 . . . . 10.0 111.332 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -68.87 -32.16 71.63 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.961 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.24 -44.77 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.906 0.384 . . . . 10.0 110.325 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.0 p -71.49 -24.48 61.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.874 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.85 -42.34 58.14 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.029 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.82 -30.29 66.69 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.721 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD12 ' HH ' ' A' ' 47' ' ' TYR . 54.2 tp -73.02 -35.99 66.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.822 179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.5 -44.67 95.8 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.138 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 8.8 mptt -71.34 -29.8 65.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.604 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -32.82 74.71 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.455 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.61 -25.17 66.48 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.36 4.74 22.88 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 40.4 mmtm -110.22 125.56 30.77 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 112.034 0.383 . . . . 10.0 112.034 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -71.47 -65.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.952 2.434 . . . . 10.0 110.866 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -118.64 124.1 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.676 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.38 95.86 11.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.551 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.23 -43.02 15.81 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.478 2.119 . . . . 10.0 112.377 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.81 -41.28 53.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.676 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.7 mm? -71.21 -24.45 62.21 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.99 -41.66 70.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.871 0.367 . . . . 10.0 110.653 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -31.42 62.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.768 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.62 69.76 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.034 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.461 ' HH ' HD12 ' A' ' 31' ' ' LEU . 43.8 t80 -71.12 -34.18 70.82 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.705 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -66.29 -39.49 89.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.336 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.529 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 39.7 t -73.41 -42.75 61.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.729 -0.669 . . . . 10.0 111.37 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -69.32 -32.64 71.88 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.586 0.588 . . . . 10.0 112.586 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.1 -33.34 61.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.783 0.325 . . . . 10.0 110.942 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.5 p -74.06 -29.4 61.86 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.367 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 49' ' ' SER . 51.0 mt-10 -66.48 -37.01 84.16 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -68.26 -36.7 79.82 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.928 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -64.66 -43.83 92.35 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.284 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.7 -35.68 79.26 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.221 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.23 -48.3 76.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.792 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.622 ' NH1' ' HA ' ' B' ' 42' ' ' ALA . 0.2 OUTLIER -75.46 -35.59 60.85 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -71.82 -39.73 69.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.22 -32.02 66.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.562 0.22 . . . . 10.0 111.157 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.545 ' O ' HG22 ' A' ' 65' ' ' VAL . 4.8 tt0 -74.39 -47.25 35.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.067 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -64.32 -28.1 69.48 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.844 0.354 . . . . 10.0 110.804 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -72.58 -42.6 64.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.81 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.3 p -69.44 -37.26 77.28 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 61' ' ' GLN . 57.6 t -63.98 -44.21 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.659 0.266 . . . . 10.0 111.391 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.85 -48.06 40.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.9 t -64.97 -51.24 69.19 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.709 ' HE1' ' HB3' ' D' ' 39' ' ' SER . 54.9 t80 -56.47 -37.75 70.75 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.597 0.561 . . . . 10.0 112.053 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -73.13 -35.27 66.49 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -61.42 -33.79 74.29 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.851 0.357 . . . . 10.0 110.272 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.577 ' O ' HD13 ' A' ' 75' ' ' ILE . 3.0 mt -68.83 -51.54 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.842 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.86 -42.21 68.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.014 -0.994 . . . . 10.0 111.86 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.81 -26.93 60.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.994 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -47.58 65.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.69 -0.232 . . . . 10.0 111.072 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 71' ' ' ILE . 3.1 mt -63.6 -38.19 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.016 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 79' ' ' PHE . 19.5 mt -56.51 -43.41 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.17 -0.923 . . . . 10.0 110.714 179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -83.59 -13.53 54.14 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.157 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' C' ' 66' ' ' LYS . 68.8 m-20 -85.97 -2.25 58.11 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 76' ' ' ILE . 1.4 m-85 -54.03 -84.52 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.264 177.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.746 ' HA ' ' HE3' ' C' ' 66' ' ' LYS . 59.3 mtm180 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.313 -0.851 . . . . 10.0 111.038 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.457 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -66.68 -45.69 78.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.005 0.403 . . . . 10.0 111.483 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 tp -75.31 -39.12 59.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.534 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -64.99 -39.94 94.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.711 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.509 ' HB3' HD11 ' D' ' 31' ' ' LEU . 0.5 OUTLIER -69.08 -35.25 76.28 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.699 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.659 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 53.8 t -66.35 -34.09 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.325 0.583 . . . . 10.0 111.003 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m -71.53 -45.27 62.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.372 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.72 -25.36 56.54 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.742 ' HE2' ' HA ' ' D' ' 35' ' ' ALA . 0.5 OUTLIER -65.48 -49.01 70.64 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.811 0.3 . . . . 10.0 111.811 -179.181 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.627 ' N ' ' HG3' ' B' ' 15' ' ' LYS . 33.8 m-85 -76.64 -31.7 57.52 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.692 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -52.78 45.56 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 114.499 1.296 . . . . 10.0 114.499 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -77.38 -23.81 50.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 10.0 111.872 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.6 -48.12 13.95 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 115.186 0.834 . . . . 10.0 115.186 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 16' ' ' PHE . 34.3 m -109.26 31.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.385 0.612 . . . . 10.0 112.119 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -71.18 -20.54 62.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.372 -0.831 . . . . 10.0 110.633 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.415 ' HB3' ' HE1' ' A' ' 5' ' ' TRP . 6.3 t-20 -93.11 -23.84 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.528 ' HG ' ' HB ' ' B' ' 20' ' ' VAL 0.284 0.8 OUTLIER -68.52 -21.29 64.58 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.607 0.966 . . . . 10.0 113.607 -179.833 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -57.9 -47.33 83.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.006 0.431 . . . . 10.0 110.211 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -73.79 -25.87 60.35 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.78 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -69.85 -31.76 69.78 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.145 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.487 HG22 ' O ' ' B' ' 23' ' ' LEU . 98.7 t -70.88 -45.07 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.898 0.38 . . . . 10.0 110.015 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 39.3 p -69.56 -24.74 63.75 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.457 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.99 -41.18 52.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.637 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.48 64.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.695 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.44 HD12 ' HH ' ' B' ' 47' ' ' TYR . 51.3 tp -73.17 -35.96 66.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.624 179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.05 -44.82 91.31 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.699 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.95 -24.2 61.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.656 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -34.59 76.81 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.994 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.61 -12.03 60.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.889 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.56 6.37 23.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.997 0.369 . . . . 10.0 111.997 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -122.4 126.82 26.08 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.45 -58.36 0.1 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.89 2.393 . . . . 10.0 110.551 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.3 p -130.81 124.68 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.48 -0.782 . . . . 10.0 108.922 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.491 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.6 OUTLIER -136.6 95.88 12.41 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -178.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.51 -34.53 52.77 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.452 2.101 . . . . 10.0 111.492 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.622 ' HA ' ' NH1' ' A' ' 58' ' ' ARG . . . -76.04 -46.58 28.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.227 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.491 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.9 mm? -71.34 -21.13 62.08 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.761 0.652 . . . . 10.0 112.761 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.7 tp -69.57 -43.66 72.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.872 0.368 . . . . 10.0 110.623 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.48 62.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.801 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.45 64.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.365 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.44 ' HH ' HD12 ' B' ' 31' ' ' LEU . 43.8 t80 -71.3 -33.71 69.94 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.833 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -66.09 -39.3 89.89 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.679 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 35.7 t -74.9 -38.69 61.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.338 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -74.35 -32.36 62.76 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.8 tp -74.09 -34.79 64.11 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 84.0 p -74.07 -28.1 61.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.255 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.563 ' HA ' HD22 ' B' ' 56' ' ' LEU . 19.6 mt-10 -67.04 -37.1 83.51 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.306 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -69.56 -30.05 67.75 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -69.02 -42.79 75.91 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.791 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.563 HD22 ' HA ' ' B' ' 53' ' ' GLU . 0.7 OUTLIER -68.64 -29.61 68.13 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.802 0.334 . . . . 10.0 111.234 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -68.99 -47.02 66.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.555 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . 0.513 ' HA ' ' HE ' ' B' ' 58' ' ' ARG . 0.6 OUTLIER -78.49 -33.35 48.26 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.473 0.545 . . . . 10.0 112.473 -179.419 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -71.23 -50.68 30.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.0 77.18 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.203 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -70.35 -45.06 66.87 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.478 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 80.7 p -65.78 -24.65 66.98 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.785 0.326 . . . . 10.0 110.805 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.41 ' O ' HG13 ' B' ' 67' ' ' VAL . 0.4 OUTLIER -74.85 -44.56 48.45 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.161 179.155 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 34.5 p -70.25 -37.24 74.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 10.0 112.071 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.0 -42.34 92.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.273 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -73.64 -45.73 50.96 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 113.36 0.874 . . . . 10.0 113.36 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 80' ' ' ARG . 5.6 p -61.17 -48.37 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -64.92 -35.43 81.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.649 0.262 . . . . 10.0 111.516 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -73.63 -36.46 65.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -70.95 -38.91 72.85 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.625 0.25 . . . . 10.0 111.625 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 15.8 pt -75.06 -29.19 21.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.402 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -72.07 -40.89 67.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.062 0.458 . . . . 10.0 109.807 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 -21.91 60.46 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.741 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.39 -38.6 74.72 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.416 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 14.0 mt -65.54 -42.58 93.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.088 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 68.2 mt -58.65 -37.53 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.26 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.51 -19.6 35.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.612 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -89.33 -0.18 57.28 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.278 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.447 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 12.6 m95 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.639 0.257 . . . . 10.0 110.999 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 17.1 p -148.4 124.46 10.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.01 0.433 . . . . 10.0 111.302 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.07 -169.98 40.37 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.8 -0.637 . . . . 10.0 111.728 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -66.75 -47.22 72.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.751 0.31 . . . . 10.0 111.513 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 37.4 tp -74.74 -36.07 62.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.504 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -67.45 -35.82 79.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.974 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' C' ' 15' ' ' LYS . 0.5 OUTLIER -71.44 -36.32 71.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.578 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.47 -40.13 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.713 0.292 . . . . 10.0 110.987 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 48.6 m -65.57 -45.22 84.1 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.108 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.89 59.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.557 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' C' ' 11' ' ' ASP . 5.2 tptp -67.19 -46.51 73.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . 0.412 ' O ' HG23 ' C' ' 20' ' ' VAL . 57.2 m-85 -77.87 -32.95 52.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.673 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -50.59 65.79 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.175 0.435 . . . . 10.0 112.175 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -79.28 -23.98 43.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 10.0 111.292 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.55 -49.15 58.03 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.999 -0.62 . . . . 10.0 113.046 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.412 HG23 ' O ' ' C' ' 16' ' ' PHE . 27.0 m -110.11 31.63 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 111.982 0.364 . . . . 10.0 111.982 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.87 -48.81 78.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -85.61 -11.4 54.03 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.042 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.67 -33.48 75.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.351 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -58.38 -47.18 84.7 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.116 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -69.12 -25.77 64.56 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.427 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -69.37 -30.69 68.74 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.568 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 67.3 t -68.79 -46.23 79.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.414 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.3 p -71.23 -24.72 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.827 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -72.52 -47.05 51.5 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.285 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.48 -29.17 67.72 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.957 0.408 . . . . 10.0 110.808 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . 0.505 HD12 ' HH ' ' C' ' 47' ' ' TYR . 40.3 tp -72.98 -34.99 66.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.257 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.76 -37.73 87.76 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.249 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.87 -32.82 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 10.0 110.949 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -21.22 64.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.395 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . 0.427 ' HB1' ' HZ3' ' A' ' 15' ' ' LYS . . . -43.14 -55.46 3.89 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 113.739 1.014 . . . . 10.0 113.739 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.57 25.3 5.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 123.36 69.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 10.0 110.785 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.434 ' CB ' ' HG2' ' A' ' 53' ' ' GLU . 19.0 Cg_endo -59.41 -73.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.163 2.575 . . . . 10.0 113.21 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -131.63 125.61 32.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.003 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . 0.636 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -135.63 92.58 16.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.485 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -63.21 -37.7 49.51 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.585 2.19 . . . . 10.0 112.128 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.62 54.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.908 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.636 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.7 mm? -72.24 -22.28 61.27 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.504 0.557 . . . . 10.0 112.504 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.26 -42.6 71.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.863 0.363 . . . . 10.0 110.567 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.82 -31.03 63.03 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.706 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.18 66.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.139 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . 0.505 ' HH ' HD12 ' C' ' 31' ' ' LEU . 45.0 t80 -69.6 -34.33 73.96 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.84 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -67.3 -39.42 85.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.871 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t -73.71 -42.13 61.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.613 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -69.6 -31.89 70.29 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.331 0.493 . . . . 10.0 112.331 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tp -75.3 -33.69 61.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.645 0.259 . . . . 10.0 111.05 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -74.68 -30.82 61.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.382 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -64.05 -36.35 83.71 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . 0.483 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 45.2 t80 -70.62 -35.89 73.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.046 -0.979 . . . . 10.0 109.898 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -61.45 -50.73 71.61 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.934 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.11 -27.01 64.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.034 -0.53 . . . . 10.0 112.381 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . 0.405 ' CD2' ' HG2' ' C' ' 58' ' ' ARG . 1.1 t80 -63.21 -54.97 29.17 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.843 0.312 . . . . 10.0 111.843 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.63 HH21 ' HG2' ' C' ' 61' ' ' GLN . 0.6 OUTLIER -75.94 -33.16 59.82 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -178.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -67.42 -40.25 85.53 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.554 0.216 . . . . 10.0 111.533 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.3 -32.28 62.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.407 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . 0.63 ' HG2' HH21 ' C' ' 58' ' ' ARG . 5.9 tp60 -66.07 -52.44 48.9 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.118 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 58.9 p -64.15 -32.98 74.75 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.643 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -66.73 -50.03 64.08 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.973 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 28.9 p -64.12 -37.11 86.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.556 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . 0.512 HG22 ' O ' ' C' ' 61' ' ' GLN . 54.1 t -60.2 -52.03 66.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.41 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . 0.746 ' HE3' ' HA ' ' A' ' 80' ' ' ARG . 4.3 tmtt? -72.44 -34.56 67.88 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.67 -48.58 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -64.68 -34.29 77.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.67 0.272 . . . . 10.0 111.463 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -72.3 -34.12 67.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.812 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -63.83 -33.17 75.09 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.763 0.316 . . . . 10.0 110.374 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.56 -41.89 72.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.684 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.9 -36.21 82.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.48 -22.41 47.54 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.206 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.47 -40.26 61.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.625 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.97 -42.59 82.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 5.7 tp -62.13 -31.55 51.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.505 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -84.69 -20.21 31.57 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.752 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 . . . . . 0 C--O 1.232 0.184 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.087 179.172 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.54 0.21 . . . . 10.0 111.442 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.08 -25.94 58.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.737 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -41.33 70.94 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.612 -0.267 . . . . 10.0 111.439 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -78.43 -44.24 25.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.73 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -50.82 65.46 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.9 m -79.51 -28.85 41.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.689 0.281 . . . . 10.0 111.631 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.03 -53.46 33.62 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.947 -0.644 . . . . 10.0 113.567 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 32.1 m -106.89 32.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.178 0.513 . . . . 10.0 111.612 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.6 -39.12 86.97 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.535 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -80.63 -8.92 59.78 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.904 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . 0.401 ' O ' HG22 ' D' ' 27' ' ' VAL . 0.5 OUTLIER -71.14 -26.14 62.87 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.726 -0.215 . . . . 10.0 111.414 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -61.22 -46.3 91.0 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t -73.3 -25.78 60.8 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.623 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -68.96 -35.39 76.69 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.354 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . 0.401 HG22 ' O ' ' D' ' 23' ' ' LEU . 51.4 t -71.26 -40.1 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.84 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -69.49 -28.42 66.05 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.791 0.329 . . . . 10.0 111.319 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -77.32 -33.93 55.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.449 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.27 -42.5 72.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.524 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -72.99 -34.89 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.918 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -62.47 -45.46 92.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.384 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -47.2 65.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.946 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.738 ' HG ' ' HE3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -61.94 -23.19 66.21 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 -179.191 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . 0.742 ' HA ' ' HE2' ' B' ' 15' ' ' LYS . . . -50.24 -54.03 24.02 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.48 24.26 5.32 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -121.68 103.2 40.93 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . 0.498 ' HB3' ' HZ3' ' A' ' 5' ' ' TRP . 14.4 Cg_endo -58.47 -73.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.952 2.435 . . . . 10.0 113.402 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' SER . . . . . 0.709 ' HB3' ' HE1' ' A' ' 68' ' ' PHE . 16.2 m -96.38 124.05 40.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.732 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.4 OUTLIER -138.18 106.05 7.96 Favored Pre-proline 0 C--O 1.216 -0.682 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -178.131 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.663 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 38.2 Cg_endo -69.48 -48.3 0.81 Allowed 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 122.646 2.231 . . . . 10.0 111.698 177.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.72 -47.59 15.05 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.197 -0.911 . . . . 10.0 112.45 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 2.4 mm? -65.21 -23.78 67.17 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.732 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -82.44 -42.53 18.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 10.0 110.844 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.87 -32.63 67.65 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.999 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.35 -36.78 71.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.857 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.72 -34.22 71.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.016 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.75 -40.88 96.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.527 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 88.8 p -76.77 -38.76 53.52 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -68.83 -36.99 78.86 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.41 -30.13 59.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.16 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 93.4 p -74.49 -30.11 61.7 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.94 0.4 . . . . 10.0 109.946 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.95 -36.64 75.44 Favored 'General case' 0 C--O 1.23 0.079 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -67.04 -35.79 80.65 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.209 -0.905 . . . . 10.0 110.422 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -62.35 -52.18 64.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.5 -0.773 . . . . 10.0 112.003 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.76 -27.18 63.75 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.17 0.804 . . . . 10.0 113.17 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.067 0.46 . . . . 10.0 110.096 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . 0.6 ' HA ' ' HE ' ' D' ' 58' ' ' ARG . 0.4 OUTLIER -82.45 -36.36 26.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.363 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -71.44 -37.48 71.42 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.81 -33.95 62.3 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.679 0.251 . . . . 10.0 111.679 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -73.46 -41.02 63.72 Favored 'General case' 0 C--N 1.334 -0.072 0 CA-C-O 120.72 0.295 . . . . 10.0 111.095 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p -70.15 -25.84 63.65 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.002 0.429 . . . . 10.0 110.494 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -76.28 -42.75 44.42 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.995 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 14.1 p -66.93 -38.17 85.66 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 87.1 t -70.17 -32.82 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.814 0.34 . . . . 10.0 110.548 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.495 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.67 ' HE1' HD22 ' B' ' 23' ' ' LEU . 16.7 t90 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -88.88 128.74 35.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.67 0.271 . . . . 10.0 111.421 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.0 152.71 13.3 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.808 -0.71 . . . . 10.0 112.249 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.46 -37.46 82.96 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.837 0.31 . . . . 10.0 111.837 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 68' ' ' PHE . 2.6 mm? -74.98 -22.19 58.69 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.395 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.8 -36.01 77.71 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.987 0.422 . . . . 10.0 110.05 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.32 -36.35 71.54 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.252 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.01 -35.53 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.321 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -68.23 -46.69 69.83 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.811 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.83 63.0 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.058 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.493 ' HZ2' ' HB2' ' C' ' 35' ' ' ALA . 20.3 tptp -65.95 -42.95 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.551 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -71.49 -32.91 68.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.2 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.47 -42.3 92.41 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -67.93 -24.18 65.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.113 0.483 . . . . 10.0 109.922 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -37.96 45.01 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.581 -0.736 . . . . 10.0 112.327 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.1 m -111.7 31.56 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 120.732 0.301 . . . . 10.0 111.766 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.77 -55.42 19.9 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.317 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -81.63 -10.74 59.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.36 0.6 . . . . 10.0 110.245 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.37 -32.18 71.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.57 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -60.03 -46.38 89.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.872 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -71.08 -26.23 62.97 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.501 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -70.66 -30.32 66.9 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.15 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.64 -43.49 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.279 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 p -73.04 -25.13 60.83 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.537 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.73 -40.99 65.65 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.048 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.42 -24.27 54.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.789 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.7 tp -69.67 -46.64 65.63 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.618 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.74 -31.53 68.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.855 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -69.51 -36.14 76.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.937 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -76.57 -30.93 57.23 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -23.95 60.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.987 0.366 . . . . 10.0 111.987 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.96 4.6 53.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.765 0.317 . . . . 10.0 111.591 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -131.41 136.51 28.75 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.763 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.39 -66.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.693 2.262 . . . . 10.0 112.176 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 p -150.2 125.65 10.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 10.0 111.448 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.733 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -133.58 125.4 18.52 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.52 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.63 -36.09 54.98 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.425 2.084 . . . . 10.0 111.974 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.37 -37.23 60.71 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.748 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.733 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 4.0 mm? -72.24 -30.72 65.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.839 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.6 mt -72.69 -34.77 67.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.143 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.98 -35.26 64.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.683 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.68 -41.86 64.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.118 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -69.72 -34.37 73.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.216 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -40.21 79.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.885 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 27.7 t -72.83 -40.99 65.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.284 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -68.41 -33.22 73.85 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.1 tp -73.88 -29.66 62.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.948 0.404 . . . . 10.0 110.422 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.9 m -74.29 -29.79 61.8 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.523 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.819 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 45.2 mt-10 -68.66 -37.09 79.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.047 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -70.35 -32.5 70.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.583 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.48 -38.47 87.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.428 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.13 -31.47 69.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.6 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.75 -41.61 91.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 10.0 110.139 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -77.58 -33.35 53.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 10.0 112.423 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -73.15 -44.76 59.6 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.9 -31.11 64.43 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.851 0.315 . . . . 10.0 111.851 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -67.71 -50.33 58.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.042 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.2 p -70.87 -21.24 62.43 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.689 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.499 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -70.16 -44.77 68.13 Favored 'General case' 0 C--O 1.227 -0.107 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.318 178.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.9 m -63.27 -38.14 89.99 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.08 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.13 -40.24 82.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -68.66 -38.5 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 63' ' ' ASN . 20.1 t -67.96 -52.37 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 113.823 1.046 . . . . 10.0 113.823 -178.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.717 ' HE2' ' HB3' ' D' ' 39' ' ' SER . 20.6 t80 -65.72 -35.57 81.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.487 -0.485 . . . . 10.0 112.281 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -33.62 75.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.977 0.418 . . . . 10.0 110.486 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -71.38 -47.97 52.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.881 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.534 HG23 ' HA ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -65.04 -39.07 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.54 ' HA ' HD13 ' A' ' 75' ' ' ILE . 9.6 t70 -70.55 -27.65 64.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.539 -0.301 . . . . 10.0 111.765 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.89 -32.12 70.29 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.789 0.328 . . . . 10.0 110.253 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.39 77.18 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.969 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.54 HD13 ' HA ' ' A' ' 72' ' ' ASP . 18.0 mt -63.74 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.73 0.776 . . . . 10.0 109.536 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.454 ' O ' ' HB2' ' A' ' 79' ' ' PHE . 3.7 mt -58.15 -42.98 84.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.664 -1.153 . . . . 10.0 111.307 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.95 -15.11 60.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.787 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -75.52 -21.07 58.29 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.454 ' HB2' ' O ' ' A' ' 76' ' ' ILE . 20.1 m-85 -58.03 118.9 5.9 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.155 -0.929 . . . . 10.0 109.808 177.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.112 -0.947 . . . . 10.0 111.943 -179.54 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.267 -0.333 . . . . 10.0 112.267 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -66.6 -37.64 85.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.612 0.244 . . . . 10.0 111.581 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.23 -22.19 58.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.723 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -69.56 -33.99 73.54 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.37 -36.15 66.05 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.199 -0.91 . . . . 10.0 110.141 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 84.8 t -67.82 -32.48 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.338 0.589 . . . . 10.0 109.951 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -71.22 -40.87 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.655 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -28.42 61.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.21 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.477 ' NZ ' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -64.28 -41.72 96.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.812 0.339 . . . . 10.0 111.019 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.588 ' O ' HG23 ' B' ' 20' ' ' VAL . 36.6 m-85 -73.54 -39.02 65.05 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.282 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -57.02 -50.52 72.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.334 1.235 . . . . 10.0 114.334 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.7 m -56.19 -32.88 64.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.39 -43.15 16.6 Favored Glycine 0 CA--C 1.494 -1.236 0 C-N-CA 120.617 -0.801 . . . . 10.0 114.326 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.702 HG13 HD21 ' B' ' 23' ' ' LEU . 17.1 m -87.09 12.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.091 -0.554 . . . . 10.0 111.041 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.497 ' HA ' HE21 ' B' ' 24' ' ' GLN . 26.3 t70 -64.24 -43.14 95.85 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.706 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -82.87 -27.35 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.702 HD21 HG13 ' B' ' 20' ' ' VAL 0.29 3.8 pp -70.9 -20.39 62.5 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.497 HE21 ' HA ' ' B' ' 21' ' ' ASP . 48.3 mt-30 -57.49 -47.49 81.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.016 0.436 . . . . 10.0 110.038 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.0 t -73.32 -26.05 60.89 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.579 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -70.04 -29.6 66.67 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.848 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 23' ' ' LEU . 92.6 t -70.58 -45.03 76.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 38.0 p -71.67 -26.4 62.51 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.202 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -72.05 -41.25 67.67 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.277 -0.42 . . . . 10.0 109.999 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.16 -24.37 57.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.759 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.422 HD12 ' HH ' ' B' ' 47' ' ' TYR . 53.0 tp -71.32 -45.59 62.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.504 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -70.67 -31.57 68.53 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.999 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -69.49 -34.59 74.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.873 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.13 -31.09 58.46 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.673 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.67 -21.31 57.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.556 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.07 4.43 53.92 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.28 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -132.1 146.08 60.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.938 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -66.4 -61.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.595 2.197 . . . . 10.0 111.272 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.7 p -160.97 125.8 3.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.955 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.506 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -132.38 124.86 19.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.527 179.681 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.23 -31.69 74.16 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.37 2.046 . . . . 10.0 111.672 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.67 -41.58 60.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.333 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.4 mm? -72.63 -23.33 60.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.9 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.93 -44.72 65.59 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.308 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.2 -28.94 61.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.966 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.77 -42.44 70.42 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.462 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.422 ' HH ' HD12 ' B' ' 31' ' ' LEU . 51.9 t80 -72.05 -33.7 68.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.498 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -41.38 79.23 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.823 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 43.4 t -70.2 -39.18 75.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.787 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -71.59 -31.84 67.37 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.815 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.55 -31.78 62.23 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.032 0.444 . . . . 10.0 109.82 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.2 m -73.7 -29.21 62.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.364 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -69.67 -36.91 76.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.069 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -69.49 -32.39 71.24 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -69.72 -29.88 67.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.601 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -35.46 80.61 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.078 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -67.26 -48.46 67.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.702 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -75.63 -24.23 56.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.391 0.885 . . . . 10.0 113.391 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -78.26 -58.32 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.98 -30.26 70.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.472 0.177 . . . . 10.0 111.301 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -67.33 -45.11 77.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.382 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 79.0 p -70.94 -21.16 62.38 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.673 0.273 . . . . 10.0 111.27 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.558 ' O ' HG22 ' B' ' 67' ' ' VAL . 0.4 OUTLIER -75.75 -45.35 36.89 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.418 179.569 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -61.51 -37.5 83.94 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.688 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 59.1 t -67.17 -37.63 79.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.848 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -71.46 -33.33 69.24 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.558 HG22 ' O ' ' B' ' 63' ' ' ASN . 23.6 t -66.35 -53.03 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -70.11 -35.17 73.94 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.57 0.582 . . . . 10.0 112.57 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mmpm? -65.13 -34.65 78.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.708 0.29 . . . . 10.0 111.543 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -71.39 -46.14 61.06 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.185 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 1.2 pt -71.43 -29.2 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.857 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . 0.407 ' HA ' HD13 ' B' ' 75' ' ' ILE . 32.8 t70 -72.28 -32.88 67.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.36 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.88 -32.51 73.06 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.026 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.85 87.35 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.745 -0.662 . . . . 10.0 110.811 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' B' ' 72' ' ' ASP . 10.8 mt -65.84 -43.08 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.786 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 76.0 mt -61.35 -35.57 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.016 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -77.77 -16.35 58.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.181 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -80.25 -22.51 41.64 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.56 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--O 1.232 0.176 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.742 178.835 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 8.0 t90 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.815 0.34 . . . . 10.0 110.775 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -102.56 126.59 49.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.509 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.58 158.53 21.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.539 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.04 -33.82 76.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.949 0.404 . . . . 10.0 111.376 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.487 HD13 ' H ' ' C' ' 9' ' ' LEU . 3.5 mp -74.23 -23.14 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.094 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -71.69 -34.59 69.78 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.399 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -73.05 -37.44 66.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.783 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.19 -35.97 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.698 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -67.4 -46.57 72.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.683 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -25.57 63.8 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.421 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -65.56 -39.48 91.74 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 10.0 110.707 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . 0.423 ' O ' HG23 ' C' ' 20' ' ' VAL . 18.5 m-30 -75.5 -33.39 60.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.069 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -65.16 -39.54 93.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.933 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 16.3 m -70.43 -29.47 66.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.928 0.394 . . . . 10.0 110.767 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.48 -34.33 60.43 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.016 -0.611 . . . . 10.0 112.276 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.423 HG23 ' O ' ' C' ' 16' ' ' PHE . 29.2 m -110.15 30.34 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.768 0.318 . . . . 10.0 111.484 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.11 -55.9 18.68 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.413 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -83.86 -9.11 58.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.224 0.535 . . . . 10.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.22 -33.87 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.034 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -59.25 -45.58 90.79 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.13 -0.486 . . . . 10.0 112.089 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -71.67 -26.01 62.35 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.599 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.46 -28.5 63.99 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.773 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.15 -46.4 72.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.065 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.115 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 38.3 p -71.13 -25.81 62.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.487 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.79 -44.14 67.23 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.324 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.77 -24.07 52.91 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.965 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . 0.583 HD12 ' HH ' ' C' ' 47' ' ' TYR . 32.7 tp -71.2 -42.96 68.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.505 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -31.39 68.14 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.62 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 25.6 mttp -71.71 -35.91 70.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.289 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -73.44 -52.03 15.12 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . 0.493 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . . . -64.79 -21.12 66.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.87 21.02 15.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.307 0.575 . . . . 10.0 111.066 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 14.9 tptt -141.88 124.64 9.42 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.89 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.819 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 59.6 Cg_exo -42.72 -72.66 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.86 3.04 . . . . 10.0 114.241 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -154.54 125.73 7.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.963 0.411 . . . . 10.0 111.844 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . 0.689 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 3.9 m-20 -136.71 119.04 11.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.88 -32.41 66.4 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.185 1.923 . . . . 10.0 112.0 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.6 -35.12 60.62 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.546 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.689 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.2 mm? -72.71 -29.73 63.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.738 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 mt -72.52 -36.7 68.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.167 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.27 -32.75 63.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.73 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.99 -45.24 59.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.276 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . 0.583 ' HH ' HD12 ' C' ' 31' ' ' LEU . 64.6 t80 -67.58 -34.64 77.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.469 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -40.1 84.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.055 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.6 t -74.76 -39.17 61.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.507 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -66.65 -40.66 88.77 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tp -72.23 -29.79 64.28 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.976 -0.289 . . . . 10.0 111.451 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 66.3 m -73.37 -29.5 62.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.717 0.294 . . . . 10.0 110.317 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.16 -37.16 86.46 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -71.57 -31.49 67.03 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.343 -0.844 . . . . 10.0 109.063 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -63.81 -44.36 93.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.864 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.77 -28.09 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -40.37 93.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.994 0.426 . . . . 10.0 109.897 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.416 ' NH2' ' HB3' ' C' ' 61' ' ' GLN . 2.3 mmp_? -78.76 -35.77 44.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.625 -0.716 . . . . 10.0 112.351 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -69.04 -36.38 77.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.143 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.36 -31.62 54.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.36 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . 0.416 ' HB3' ' NH2' ' C' ' 58' ' ' ARG . 35.7 tt0 -69.69 -45.8 67.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 29.0 m -69.02 -28.11 66.27 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.161 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -46.67 69.83 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.964 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 28.8 m -62.43 -38.29 89.15 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.833 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . 0.51 HG21 ' HG ' ' D' ' 49' ' ' SER . 93.3 t -64.63 -46.89 91.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.26 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -68.81 -32.46 72.19 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.6 -55.1 16.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -66.63 -32.39 73.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 0.5 OUTLIER -69.57 -34.46 74.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.644 0.259 . . . . 10.0 111.48 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.89 -49.44 61.94 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.375 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 pt -69.46 -33.17 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -72.31 -29.11 63.53 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.789 0.328 . . . . 10.0 110.953 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.21 66.15 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.161 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.57 -34.21 65.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.657 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -66.77 -47.56 82.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pt -68.54 -22.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.997 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -80.67 -18.74 47.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 10.0 110.31 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 177.709 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.695 0.283 . . . . 10.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.99 -27.88 66.1 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.331 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -66.8 -37.15 83.97 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.559 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -74.92 -36.42 62.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.943 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.15 -39.88 93.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.75 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 25.5 m -70.34 -30.14 67.01 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.993 0.425 . . . . 10.0 110.75 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.55 -32.93 64.16 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.411 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.49 28.83 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.919 0.39 . . . . 10.0 111.172 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.1 -53.41 55.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.344 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.61 -9.71 59.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.664 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.01 -29.67 65.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.643 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -62.78 -44.47 96.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.683 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -73.67 -26.03 60.54 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.655 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.52 -31.32 66.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.149 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 82.3 t -72.2 -42.19 66.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.433 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 41.3 p -72.59 -24.73 61.13 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.38 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -72.85 -41.74 64.48 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.104 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.42 -24.31 57.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.499 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.77 -51.81 56.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.33 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.1 -31.69 68.11 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.792 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -65.67 -40.34 92.3 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.016 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 52.0 tp -77.73 -24.41 49.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.656 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . 0.477 ' HA ' ' NZ ' ' B' ' 15' ' ' LYS . . . -55.21 -44.38 75.3 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.386 0.513 . . . . 10.0 112.386 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.341 . . -98.6 25.86 6.08 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 114.776 1.399 . . . . 10.0 114.776 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -148.86 99.73 3.5 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.735 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.09 -73.51 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.56 0 C-N-CA 124.163 3.242 . . . . 10.0 113.893 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' SER . . . . . 0.717 ' HB3' ' HE2' ' A' ' 68' ' ' PHE . 51.1 m -92.25 124.12 36.09 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 7.0 m-20 -138.4 115.32 9.08 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 114.352 1.241 . . . . 10.0 114.352 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.56 -48.24 0.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.63 2.22 . . . . 10.0 111.311 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.47 -42.55 22.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.227 -1.351 . . . . 10.0 113.55 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.511 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.1 mm? -67.66 -38.72 84.17 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.0 OUTLIER -69.08 -30.87 69.27 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.923 0.392 . . . . 10.0 110.3 178.484 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.12 -50.93 68.54 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.902 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.74 -38.2 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.259 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -65.43 -33.91 77.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.256 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -69.25 -44.85 71.11 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.823 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 49' ' ' SER . . . . . 0.51 ' HG ' HG21 ' C' ' 65' ' ' VAL . 50.0 m -72.15 -39.99 68.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 10.0 112.204 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -70.6 -26.75 63.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.587 0.588 . . . . 10.0 112.587 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mt -73.27 -35.37 66.16 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 52' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' D' ' 55' ' ' ASN . 50.0 m -74.37 -28.31 61.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.474 -0.784 . . . . 10.0 110.572 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -66.19 -37.6 85.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.753 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -74.54 -29.08 61.24 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . 0.671 HD21 HD23 ' D' ' 56' ' ' LEU . 2.2 t30 -60.4 -46.46 89.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.866 -1.061 . . . . 10.0 110.665 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . 0.671 HD23 HD21 ' D' ' 55' ' ' ASN . 3.0 mm? -74.58 -28.26 60.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.688 0.996 . . . . 10.0 113.688 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.96 -40.36 93.07 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -83.41 -33.92 25.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.663 -0.699 . . . . 10.0 112.607 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -70.18 -53.38 17.37 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.28 83.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.8 -48.55 78.62 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.676 0.274 . . . . 10.0 111.453 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -69.99 -23.73 63.2 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.233 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.44 -41.32 66.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.649 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 5.8 m -64.93 -38.34 90.65 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.738 0.304 . . . . 10.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.57 -32.39 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.099 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 tptp . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.677 179.833 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 84.8 t90 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.769 0.318 . . . . 10.0 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -141.73 144.89 34.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.89 0.376 . . . . 10.0 111.331 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.8 162.05 26.67 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.444 -0.662 . . . . 10.0 111.444 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -66.92 -32.42 73.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.424 0.631 . . . . 10.0 109.59 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.5 tp -74.99 -34.63 61.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.806 -1.088 . . . . 10.0 110.418 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.58 -27.87 63.43 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.104 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.54 -36.5 71.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.496 -0.774 . . . . 10.0 110.37 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG11 HG21 ' A' ' 64' ' ' THR . 81.6 t -68.01 -36.42 75.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.412 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.2 m -70.3 -36.37 74.3 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.231 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.09 57.27 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.077 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -65.56 -49.35 69.19 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.566 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 20' ' ' VAL . 20.5 m-85 -71.9 -27.38 62.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.474 -0.784 . . . . 10.0 110.909 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.55 -51.27 63.7 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.687 0.625 . . . . 10.0 112.687 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -70.47 -23.85 62.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.078 0.466 . . . . 10.0 109.878 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.2 -44.62 65.22 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.825 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 16' ' ' PHE . 28.8 m -111.45 31.56 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.74 -56.23 24.48 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -84.96 -9.3 58.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.894 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.2 tm? -71.09 -41.57 70.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.63 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.56 -41.43 97.36 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.762 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 m -66.96 -30.48 70.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.874 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -73.69 -25.01 60.03 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.367 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 23' ' ' LEU . 50.9 t -69.26 -47.35 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.904 0.383 . . . . 10.0 110.32 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.5 p -69.3 -34.29 74.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.341 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -68.0 -40.69 82.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.392 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.44 -24.3 61.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.278 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 tp -72.9 -38.95 66.74 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.912 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.02 -34.26 73.06 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.874 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -71.35 -35.31 71.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.649 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -71.19 -31.93 68.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.905 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.64 61.36 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.36 3.38 51.1 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.768 0.284 . . . . 10.0 111.768 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -123.13 134.35 25.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.274 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.61 -67.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.905 2.403 . . . . 10.0 112.13 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 p -137.24 124.88 22.28 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.883 0.373 . . . . 10.0 111.456 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.91 113.26 9.06 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.782 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.59 -31.7 59.62 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.561 2.174 . . . . 10.0 112.505 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 -48.17 19.6 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.81 -25.77 62.13 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.64 0.607 . . . . 10.0 112.64 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 tp -71.1 -41.01 71.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.858 0.361 . . . . 10.0 110.435 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -31.59 62.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.877 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.05 -46.64 61.65 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.152 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -67.59 -33.86 75.87 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.194 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -65.67 -44.66 85.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.185 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.5 t -71.72 -41.49 68.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.657 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -70.04 -28.24 65.31 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 tp -75.22 -31.21 60.81 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.001 0.429 . . . . 10.0 109.963 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.2 m -73.26 -35.39 66.19 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.017 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.52 -36.88 81.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.003 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -63.78 -38.06 89.68 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.713 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -63.89 -40.71 97.15 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.213 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -65.72 -30.72 71.43 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.788 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -50.85 64.94 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.632 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -28.54 55.35 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -72.3 -43.3 64.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.806 -0.179 . . . . 10.0 111.253 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.55 79.21 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 120.741 0.305 . . . . 10.0 110.645 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -72.68 -40.34 66.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.451 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.5 p -71.06 -27.52 63.7 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.518 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -75.31 -31.76 60.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.854 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.549 HG21 HG11 ' A' ' 12' ' ' VAL . 3.7 m -69.56 -49.37 54.91 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.323 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.22 -35.35 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.913 0.338 . . . . 10.0 111.913 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -71.07 -48.32 53.25 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.915 0.709 . . . . 10.0 112.915 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.2 t -77.85 -42.37 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.553 ' CZ ' ' HD3' ' D' ' 41' ' ' PRO . 76.1 t80 -59.54 -34.23 72.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.353 . . . . 10.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -73.86 -34.43 64.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.57 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -59.16 -34.76 72.48 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.733 0.301 . . . . 10.0 111.163 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.476 ' O ' HD13 ' A' ' 75' ' ' ILE . 2.4 mt -70.69 -49.01 54.62 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.841 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.483 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 2.2 t70 -57.04 -35.87 69.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.807 -1.088 . . . . 10.0 112.263 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.48 -21.63 41.8 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -49.52 26.54 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.694 0.283 . . . . 10.0 111.71 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 71' ' ' ILE . 3.3 mt -67.85 -35.94 74.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 121.699 0.761 . . . . 10.0 109.389 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.616 ' HA ' ' HD2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -61.42 -34.35 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 114.497 -1.228 . . . . 10.0 111.835 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -83.89 -15.07 49.42 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.212 0.53 . . . . 10.0 110.028 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -84.3 -8.66 58.95 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.411 -0.813 . . . . 10.0 109.529 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.616 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 1.7 m-85 -55.24 -84.54 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.944 -1.026 . . . . 10.0 109.552 177.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.218 -0.896 . . . . 10.0 111.156 179.295 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.327 -0.309 . . . . 10.0 112.327 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -67.39 -43.66 80.82 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.885 0.328 . . . . 10.0 111.885 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -28.08 60.41 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.835 0.35 . . . . 10.0 110.839 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -72.86 -32.82 65.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.701 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.14 -44.03 69.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.441 -0.799 . . . . 10.0 110.698 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.406 HG22 HD11 ' D' ' 31' ' ' LEU . 2.8 p -61.58 -33.33 56.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.819 0.342 . . . . 10.0 111.784 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -69.49 -31.68 70.11 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.87 -25.68 56.38 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.362 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' B' ' 12' ' ' VAL . 13.1 mmmt -67.77 -45.29 75.3 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.651 -0.499 . . . . 10.0 109.651 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.66 -28.98 65.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.888 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.58 -53.8 25.23 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 114.406 1.262 . . . . 10.0 114.406 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -71.06 -26.24 62.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.078 0.466 . . . . 10.0 111.212 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.98 -38.13 36.47 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.796 -0.638 . . . . 10.0 113.802 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.677 HG12 HD22 ' B' ' 23' ' ' LEU . 2.5 t -109.86 30.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.319 0.581 . . . . 10.0 110.401 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.48 -51.44 29.06 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.385 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -78.91 -22.09 46.37 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.144 0.424 . . . . 10.0 112.144 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.677 HD22 HG12 ' B' ' 20' ' ' VAL . 17.9 tp -69.2 -33.7 73.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.565 -0.288 . . . . 10.0 111.206 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' B' ' 20' ' ' VAL . 30.7 mm-40 -62.02 -40.43 95.68 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.908 0.385 . . . . 10.0 111.336 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.4 m -70.25 -29.41 66.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.392 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.74 -25.5 62.95 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.062 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.429 HG22 ' O ' ' B' ' 23' ' ' LEU . 48.7 t -70.46 -48.47 59.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.216 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 30.8 p -67.26 -32.71 73.9 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.164 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -70.97 -39.04 72.77 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.1 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.35 60.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.174 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 tp -71.52 -39.6 70.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.553 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -70.43 -35.0 73.11 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.686 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -71.41 -30.03 65.6 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.839 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.58 -36.99 71.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.323 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.88 -17.4 59.8 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.817 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.98 2.49 53.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.761 0.315 . . . . 10.0 111.537 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -128.51 142.09 43.65 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.85 -58.23 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.752 2.301 . . . . 10.0 111.557 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 39.5 p -151.19 125.98 9.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.932 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -136.56 112.93 10.03 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 112.111 0.411 . . . . 10.0 112.111 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.95 -29.32 66.83 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.684 2.256 . . . . 10.0 112.318 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.61 -49.6 15.87 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.35 -21.86 61.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 tp -72.76 -42.55 63.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.928 0.394 . . . . 10.0 110.258 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.03 63.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.632 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.76 60.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.914 -0.584 . . . . 10.0 111.105 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -67.24 -33.41 75.28 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.756 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.78 -41.09 96.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.907 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.2 t -76.3 -39.63 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.672 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.461 ' HD2' ' CD1' ' B' ' 23' ' ' LEU . 41.0 mmtm -72.5 -34.73 67.84 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 113.035 0.754 . . . . 10.0 113.035 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 52.4 tp -71.84 -33.86 68.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.281 0.562 . . . . 10.0 109.567 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.1 m -72.51 -29.53 63.69 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.241 -0.891 . . . . 10.0 110.66 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.02 -35.96 69.55 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.106 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -62.76 -36.57 83.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.487 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.73 -35.34 80.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.865 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -28.29 67.4 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.602 -0.727 . . . . 10.0 111.303 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -49.51 36.83 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.627 -0.26 . . . . 10.0 111.526 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -16.84 61.04 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.336 0.495 . . . . 10.0 112.336 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -79.14 -58.58 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.274 0.842 . . . . 10.0 113.274 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.38 -33.65 74.03 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.424 0.154 . . . . 10.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -67.13 -43.37 82.58 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-O 120.853 0.358 . . . . 10.0 110.369 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -71.25 -31.68 67.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.836 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -72.23 -39.58 68.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.772 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 7.6 p -68.63 -38.77 80.78 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.685 0.254 . . . . 10.0 111.685 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.84 -35.21 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.051 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.97 -49.09 26.11 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.488 ' O ' HG13 ' B' ' 71' ' ' ILE . 15.0 t -68.32 -46.45 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . 0.484 ' HA ' HD13 ' B' ' 71' ' ' ILE . 83.0 t80 -61.63 -32.52 72.66 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -69.79 -34.93 74.4 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.748 -0.205 . . . . 10.0 111.521 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.61 -26.48 64.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.475 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 67' ' ' VAL . 46.3 mt -70.17 -50.62 45.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.45 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.53 -33.59 76.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.755 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.72 62.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.318 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.92 75.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.947 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 10.1 mt -66.27 -41.68 89.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.792 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . 0.524 ' HA ' ' HD2' ' B' ' 79' ' ' PHE . 94.2 mt -61.88 -35.92 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.237 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -78.37 -20.89 50.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.313 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -87.7 -7.35 57.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.142 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . 0.524 ' HD2' ' HA ' ' B' ' 76' ' ' ILE . 2.2 m-85 . . . . . 0 C--O 1.232 0.173 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.352 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 48.5 t90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.967 0.413 . . . . 10.0 111.475 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -153.73 119.66 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.772 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.6 -173.18 14.15 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.807 -0.711 . . . . 10.0 112.672 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -66.82 -40.46 88.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.826 0.346 . . . . 10.0 111.395 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 37.3 tp -70.8 -35.99 72.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.195 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.92 -29.2 69.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.576 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.05 -36.25 66.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.936 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.623 HG11 HG21 ' C' ' 64' ' ' THR . 46.7 t -69.93 -37.44 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.878 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -68.73 -38.7 80.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.495 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.78 -23.11 58.46 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.959 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -43.4 87.14 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.437 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . 0.418 ' O ' HG23 ' C' ' 20' ' ' VAL . 30.1 m-85 -76.9 -28.43 55.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.628 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.5 -45.64 89.76 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.01 -0.541 . . . . 10.0 112.061 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -72.38 -27.05 62.14 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.794 0.33 . . . . 10.0 111.287 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.9 -41.5 72.3 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.425 ' O ' ' HG2' ' C' ' 24' ' ' GLN . 27.5 m -108.8 31.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.31 -55.03 40.04 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.119 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -91.89 -7.03 50.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.887 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.444 ' O ' HG22 ' C' ' 27' ' ' VAL . 3.3 tm? -71.04 -40.76 71.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.114 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' C' ' 20' ' ' VAL . 33.2 mm-40 -61.95 -39.63 92.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.169 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 4.7 m -68.56 -31.6 70.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -73.83 -25.66 60.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.309 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . 0.444 HG22 ' O ' ' C' ' 23' ' ' LEU . 92.9 t -67.39 -48.15 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 120.848 0.356 . . . . 10.0 110.212 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 24.0 p -69.08 -32.92 72.72 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.395 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -68.74 -43.77 75.18 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.647 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.75 -24.3 61.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.894 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . 0.496 HD12 ' HH ' ' C' ' 47' ' ' TYR . 51.5 tp -72.53 -40.37 66.82 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.893 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.45 -30.66 68.62 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.591 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -71.38 -45.11 63.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.329 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -70.01 -29.07 66.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.798 0.333 . . . . 10.0 111.016 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.09 -36.89 83.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 10.0 112.135 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.49 25.18 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -125.24 120.96 25.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.335 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -48.67 -71.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.653 2.902 . . . . 10.0 113.51 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 77.4 p -148.07 124.81 11.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.03 0.443 . . . . 10.0 112.029 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.64 111.7 8.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.794 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.28 -28.71 63.84 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.519 2.146 . . . . 10.0 112.541 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.88 -47.96 19.7 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.068 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.71 -24.48 61.0 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -69.52 -41.9 75.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.789 0.328 . . . . 10.0 110.431 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.07 -29.55 61.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.674 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.74 57.56 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.272 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . 0.496 ' HH ' HD12 ' C' ' 31' ' ' LEU . 65.1 t80 -67.36 -34.0 76.4 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.276 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.56 -42.06 87.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.953 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -74.45 -38.86 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.859 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -74.11 -26.51 60.38 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.05 -35.86 61.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.806 0.336 . . . . 10.0 110.571 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 12.1 p -74.51 -30.09 61.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.301 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.5 -36.49 84.37 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . 0.695 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 47.0 t80 -67.8 -37.49 82.06 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.449 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.17 -48.26 82.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.287 -0.87 . . . . 10.0 111.297 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -67.75 -27.76 67.06 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -53.08 61.88 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.628 0.251 . . . . 10.0 111.502 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.562 ' CZ ' ' HB1' ' D' ' 45' ' ' ALA . 0.0 OUTLIER -86.53 -15.56 39.63 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.737 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -78.27 -34.1 49.14 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.99 58.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.266 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -71.97 -35.62 69.59 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.637 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 77.7 p -71.26 -28.65 64.31 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.04 0.448 . . . . 10.0 110.588 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -77.45 -33.22 54.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.648 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 64' ' ' THR . . . . . 0.623 HG21 HG11 ' C' ' 12' ' ' VAL . 82.0 m -69.98 -43.78 70.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.628 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.91 -33.99 65.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.196 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -75.31 -45.94 36.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.54 -49.72 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.3 -37.95 76.07 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.719 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 10.7 mmpt? -72.19 -34.31 68.32 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -61.65 -35.71 78.72 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.816 0.341 . . . . 10.0 110.589 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 45.9 mt -73.32 -41.73 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.233 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -66.48 -34.78 78.7 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.476 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.26 -21.52 46.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.382 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.62 -43.74 46.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.742 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 52.6 mt -73.59 -41.52 55.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 tp -62.64 -30.73 49.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.384 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -85.05 -20.85 29.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.385 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 N--CA 1.463 0.215 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.583 178.842 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.726 0.298 . . . . 10.0 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.64 58.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.112 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -67.04 -44.88 79.08 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.587 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . 0.445 ' O ' HG23 ' D' ' 20' ' ' VAL . 30.9 m-85 -77.93 -30.06 50.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.319 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.9 -50.76 65.27 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.876 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.6 m -73.18 -24.03 60.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.069 0.462 . . . . 10.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.31 -41.94 76.71 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.82 -0.627 . . . . 10.0 113.137 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . 0.445 HG23 ' O ' ' D' ' 16' ' ' PHE . 34.3 m -111.24 32.4 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.965 0.412 . . . . 10.0 111.242 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.3 -50.74 72.56 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.802 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -88.35 -9.76 51.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.421 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.47 -40.41 70.29 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.203 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -61.86 -37.09 83.21 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -71.35 -29.31 64.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.669 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -75.82 -26.34 57.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.514 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -70.76 -43.32 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.784 0.326 . . . . 10.0 110.512 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -71.97 -32.51 67.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.185 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -71.56 -37.07 71.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.477 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.24 -28.24 63.03 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.221 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.406 HD11 HG22 ' B' ' 12' ' ' VAL . 20.4 tp -73.32 -37.48 66.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.08 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -70.69 -32.24 69.41 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.261 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -70.83 -40.62 72.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.054 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 tt -72.13 -23.94 61.39 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.99 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.98 -52.56 14.4 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.92 17.18 24.64 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -116.03 106.28 49.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.794 -1.187 . . . . 10.0 107.794 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -65.35 -77.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.766 2.311 . . . . 10.0 113.647 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -97.2 122.02 39.75 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.677 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.0 OUTLIER -140.29 115.98 7.79 Favored Pre-proline 0 C--O 1.219 -0.518 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -178.247 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.695 ' HB2' ' HH ' ' C' ' 54' ' ' TYR . 37.1 Cg_endo -68.3 -45.29 2.8 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.892 2.395 . . . . 10.0 111.68 177.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.75 -55.92 4.93 Favored 'General case' 0 C--O 1.227 -0.082 0 CA-C-N 115.178 -0.919 . . . . 10.0 113.058 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.29 -33.12 71.9 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.88 1.067 . . . . 10.0 113.88 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.677 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -73.74 -37.21 65.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 10.0 110.792 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . 0.562 ' HB1' ' CZ ' ' C' ' 58' ' ' ARG . . . -74.75 -37.77 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.802 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.95 -45.26 82.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.533 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -67.75 -33.21 74.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.097 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . 0.424 HE21 HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -63.93 -47.97 78.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.547 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -72.23 -41.4 66.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 10.0 112.33 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -70.9 -25.7 62.9 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 tp -75.12 -39.23 60.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.688 0.28 . . . . 10.0 111.159 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -74.65 -34.31 62.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.24 -34.75 73.24 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.706 -0.398 . . . . 10.0 110.311 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.78 -34.08 73.95 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 177.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -61.78 -45.74 92.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.917 -1.038 . . . . 10.0 111.695 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -26.98 65.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.28 -46.22 86.47 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.17 -27.91 25.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.769 -0.651 . . . . 10.0 112.654 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -73.21 -49.58 27.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.625 0.25 . . . . 10.0 111.438 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.72 -34.05 76.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.197 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.08 -41.22 77.83 Favored 'General case' 0 CA--C 1.527 0.087 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.578 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 92.6 p -71.7 -30.62 65.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.995 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.14 -40.24 78.37 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.42 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 2.4 p -67.66 -37.51 82.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.629 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.59 -36.66 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.022 0.439 . . . . 10.0 110.119 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.4 tptp . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.709 -179.906 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 86.4 t90 . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -148.33 153.08 38.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.044 0.45 . . . . 10.0 111.916 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 -179.32 40.58 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.592 -0.731 . . . . 10.0 111.522 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -67.31 -31.29 71.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.891 0.346 . . . . 10.0 110.478 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -70.61 -31.97 69.14 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.949 179.033 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.61 -29.41 63.46 Favored 'General case' 0 C--O 1.23 0.047 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.659 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -74.54 -35.99 63.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.207 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.12 -40.87 78.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.706 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 p -69.48 -38.1 77.53 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.8 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.74 -23.33 56.03 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.222 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -64.17 -49.77 70.77 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.598 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.513 ' O ' HG23 ' A' ' 20' ' ' VAL . 39.0 m-85 -73.65 -28.35 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.593 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.0 -45.22 89.95 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 112.721 0.638 . . . . 10.0 112.721 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -75.12 -27.26 59.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.715 0.293 . . . . 10.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.73 -36.65 83.08 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.179 -0.534 . . . . 10.0 111.96 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 16' ' ' PHE . 33.3 m -118.44 33.33 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.64 -56.71 16.82 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -81.44 -5.28 57.75 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.348 0.594 . . . . 10.0 110.558 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.17 -38.19 75.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.069 -0.968 . . . . 10.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -62.25 -35.73 79.86 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.754 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -69.78 -34.59 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.591 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.48 -35.48 77.6 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.845 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.82 -45.33 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.761 0.315 . . . . 10.0 111.181 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 p -71.73 -32.26 67.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.952 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -68.01 -42.82 80.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.83 0.348 . . . . 10.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.8 -24.51 61.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.553 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.19 -41.57 73.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.114 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -70.97 -31.27 67.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.753 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -68.02 -35.52 78.41 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.925 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -25.94 60.44 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.943 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.16 -27.87 66.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.3 4.46 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.956 0.354 . . . . 10.0 111.956 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -115.05 125.16 29.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.676 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.09 -66.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.725 2.284 . . . . 10.0 111.5 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.1 m -126.91 124.34 39.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.634 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -137.44 95.67 11.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.532 . . . . 10.0 111.252 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.07 -37.71 41.09 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.739 2.293 . . . . 10.0 112.68 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.69 -42.22 51.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.919 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.55 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.8 mm? -72.48 -28.21 62.76 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.99 -33.8 63.96 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.669 0.271 . . . . 10.0 111.066 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.73 -37.29 70.61 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.369 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.92 67.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.17 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -69.74 -36.44 75.84 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.884 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -65.06 -43.25 92.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.477 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.504 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 42.7 t -71.4 -40.19 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.333 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -75.46 -22.84 56.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.6 tp -73.81 -42.33 61.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.931 0.396 . . . . 10.0 110.362 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -69.21 -29.1 66.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.693 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.693 ' HG2' ' HA ' ' C' ' 38' ' ' PRO . 54.2 mt-10 -65.95 -38.47 88.71 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.247 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -67.02 -36.49 82.23 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.649 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -66.1 -45.37 81.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.284 -0.871 . . . . 10.0 110.343 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.02 -28.06 67.08 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.561 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -49.17 63.45 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.267 -0.272 . . . . 10.0 110.267 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -74.72 -36.68 62.67 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -179.439 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -70.51 -45.0 66.45 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.505 0.557 . . . . 10.0 112.505 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.53 64.64 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.83 0.307 . . . . 10.0 111.83 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -68.58 -49.51 58.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.9 p -71.18 -23.97 62.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.97 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.65 -45.27 62.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.302 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -70.03 -38.82 75.97 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.48 -46.43 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.743 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' HG2' ' NE2' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -64.13 -42.74 96.7 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -178.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.547 ' CG1' HD22 ' C' ' 55' ' ' ASN . 19.5 t -73.14 -46.78 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 114.606 1.336 . . . . 10.0 114.606 -178.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -59.63 -22.76 62.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.423 -0.511 . . . . 10.0 110.391 179.406 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -73.05 -39.02 66.26 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.476 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -67.09 -34.53 77.84 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.951 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.53 ' CD1' ' HA ' ' A' ' 68' ' ' PHE . 12.2 mt -65.01 -45.03 95.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 108.139 -1.059 . . . . 10.0 108.139 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -62.09 -37.06 83.61 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.773 -1.558 . . . . 10.0 112.302 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.51 -28.56 61.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.583 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.85 -48.34 38.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.069 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.557 HG22 ' OE1' ' D' ' 48' ' ' GLN . 6.9 mt -57.87 -37.69 61.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.148 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mt -60.46 -42.97 93.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.835 -1.075 . . . . 10.0 111.28 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -73.07 -28.31 62.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.59 -0.732 . . . . 10.0 112.5 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -69.15 -23.57 63.98 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.34 -0.985 . . . . 10.0 108.34 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.513 ' CZ ' HG21 ' B' ' 67' ' ' VAL . 20.0 t80 -91.5 117.7 29.93 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.191 -0.913 . . . . 10.0 109.511 178.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HG2' ' NZ ' ' C' ' 66' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.462 -0.78 . . . . 10.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.388 -0.285 . . . . 10.0 112.388 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -67.16 -36.23 81.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.658 0.266 . . . . 10.0 111.299 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.463 HD22 ' H ' ' B' ' 9' ' ' LEU . 1.4 pt? -73.15 -33.72 65.66 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.803 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.12 -31.24 67.5 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.846 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.37 -36.37 74.1 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.529 -0.759 . . . . 10.0 110.337 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -71.22 -32.81 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.554 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' SER . . . . . 0.458 ' HA ' HE21 ' B' ' 61' ' ' GLN . 58.8 m -67.15 -46.41 74.14 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.213 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.76 -22.38 56.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.26 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -54.99 40.73 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.172 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.528 ' HE1' HD23 ' D' ' 34' ' ' LEU . 52.1 m-85 -77.41 -27.99 52.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.358 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.91 -52.2 52.02 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 114.073 1.138 . . . . 10.0 114.073 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 14.0 m -62.96 -23.66 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.31 0.576 . . . . 10.0 110.478 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.77 -43.95 16.6 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.576 -0.738 . . . . 10.0 114.595 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 16' ' ' PHE . 29.5 m -108.59 27.87 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.189 0.518 . . . . 10.0 110.955 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.35 -50.17 72.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.412 -0.813 . . . . 10.0 112.586 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -76.72 -23.78 53.08 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.527 ' O ' HG22 ' B' ' 27' ' ' VAL 0.284 3.3 pp -71.96 -21.45 61.59 Favored 'General case' 0 C--O 1.226 -0.14 0 N-CA-C 113.138 0.792 . . . . 10.0 113.138 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.98 -37.81 88.61 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -73.6 -30.86 63.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.846 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.34 -31.23 69.54 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.96 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.527 HG22 ' O ' ' B' ' 23' ' ' LEU . 60.2 t -67.96 -48.01 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 CA-C-O 120.816 0.341 . . . . 10.0 110.395 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -67.96 -29.39 68.43 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.607 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -71.9 -43.5 65.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.911 0.386 . . . . 10.0 110.436 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.01 -24.25 61.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.491 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.47 -43.26 77.35 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.854 -0.425 . . . . 10.0 109.854 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.86 -31.14 67.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.398 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -66.62 -33.35 75.47 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.878 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.14 -31.7 69.35 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.536 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.87 -15.55 60.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.832 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.96 0.11 19.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.75 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -124.04 128.57 25.04 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.4 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.8 -61.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.771 2.314 . . . . 10.0 110.89 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.9 m -131.41 124.39 30.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.855 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.537 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -136.84 91.05 15.66 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.686 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.1 -35.7 51.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.574 2.183 . . . . 10.0 112.692 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.25 -42.58 54.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.628 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.537 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.0 mm? -72.63 -23.6 60.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.933 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.2 tp -74.53 -33.63 62.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.563 -0.289 . . . . 10.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.05 -35.41 66.72 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.507 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.72 66.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.861 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -72.43 -36.27 68.54 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.601 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.439 ' NE2' ' HG2' ' A' ' 66' ' ' LYS . 20.7 tt0 -65.12 -47.83 75.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.73 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 45.3 t -67.63 -38.82 84.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.427 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -80.35 -22.77 41.09 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 40.1 tp -69.17 -44.93 71.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.336 0.589 . . . . 10.0 109.455 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.0 p -71.92 -27.59 62.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.091 -0.958 . . . . 10.0 110.288 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -64.7 -36.58 84.76 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.931 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.01 -38.64 91.61 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -67.4 -33.13 74.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.111 -0.95 . . . . 10.0 109.56 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -35.7 81.38 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.79 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . 0.486 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 0.4 OUTLIER -70.49 -46.44 63.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.595 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.61 -38.86 58.68 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -70.92 -53.2 15.89 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.88 71.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.536 0.198 . . . . 10.0 111.536 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' B' ' 57' ' ' TYR . 40.3 tt0 -67.55 -45.11 76.6 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.572 -0.285 . . . . 10.0 110.973 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 54.2 p -70.6 -23.1 62.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.71 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.403 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 1.2 m120 -73.54 -49.45 26.42 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 116.632 -0.258 . . . . 10.0 111.028 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 8.5 p -69.93 -42.26 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.302 0.852 . . . . 10.0 113.302 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.61 -41.46 90.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 112.009 0.374 . . . . 10.0 112.009 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -70.71 -33.73 71.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.527 ' O ' HG13 ' B' ' 71' ' ' ILE . 78.4 t -71.42 -52.67 24.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 112.565 0.579 . . . . 10.0 112.565 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . 0.593 ' HA ' HD13 ' B' ' 71' ' ' ILE . 0.0 OUTLIER -58.7 -28.47 65.83 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 123.195 0.309 . . . . 10.0 111.142 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -67.88 -39.66 83.67 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.523 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -76.99 -26.2 53.6 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.321 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' B' ' 68' ' ' PHE . 58.4 mt -68.22 -44.48 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.092 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -69.46 -35.73 75.91 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.793 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.36 71.08 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.483 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.04 -37.81 64.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.904 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 50.5 mt -66.56 -36.11 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.808 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.39 -35.74 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.704 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -72.56 -33.84 67.07 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.061 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -71.6 -25.3 62.11 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.784 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.032 178.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 65.9 t90 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.031 0.443 . . . . 10.0 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -146.71 152.92 39.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.655 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.27 -168.84 34.99 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.718 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -67.01 -37.57 84.41 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 111.751 0.278 . . . . 10.0 111.751 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.05 -30.17 64.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.617 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.34 -28.47 63.07 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.486 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.37 -35.92 63.55 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.674 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.84 -41.1 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.059 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' SER . . . . . 0.425 ' HA ' HE21 ' C' ' 61' ' ' GLN . 39.1 p -70.02 -38.48 75.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.101 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.01 -23.0 58.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.783 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -64.46 -47.48 78.86 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.016 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . 0.528 ' O ' HG23 ' C' ' 20' ' ' VAL . 37.7 m-85 -75.69 -28.67 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.785 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.61 -43.64 96.31 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -73.28 -28.63 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.885 0.374 . . . . 10.0 111.121 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.86 -37.76 56.76 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.382 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.528 HG23 ' O ' ' C' ' 16' ' ' PHE . 32.9 m -110.13 31.58 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.09 -57.09 13.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.501 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -87.89 -1.71 58.15 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.169 0.509 . . . . 10.0 110.593 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.1 tm? -71.06 -40.74 71.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.93 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.94 -31.9 73.09 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.573 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.1 m -72.86 -32.72 65.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -72.37 -34.03 67.67 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.614 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.77 -43.64 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.832 0.349 . . . . 10.0 111.059 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -73.22 -31.06 63.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.543 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.12 -42.24 80.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.565 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.82 61.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.257 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 tp -71.62 -42.03 68.16 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.209 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.65 -31.09 67.89 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.683 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' C' ' 37' ' ' LYS . 2.3 mptm? -66.46 -42.91 86.88 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.646 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 48.4 tp -75.34 -25.04 57.45 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.38 -37.77 26.16 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.455 0.909 . . . . 10.0 113.455 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.47 22.31 5.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' C' ' 33' ' ' LYS . 4.1 mptp? -106.6 116.72 58.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.583 0.23 . . . . 10.0 111.6 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.693 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 49.8 Cg_exo -40.77 -73.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.501 3.467 . . . . 10.0 114.082 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p -150.07 125.41 10.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.903 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . 0.537 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.1 OUTLIER -131.46 98.76 17.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.204 -179.625 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.07 -34.36 58.48 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.921 2.414 . . . . 10.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.2 -41.84 48.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.431 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.537 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.9 mm? -72.48 -26.01 61.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.13 -0.486 . . . . 10.0 112.075 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.49 -34.25 63.04 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.687 0.279 . . . . 10.0 110.721 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -37.96 68.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.191 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.97 -33.93 66.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.124 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -68.83 -40.73 79.29 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.323 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -65.06 -41.91 94.71 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 123.511 0.507 . . . . 10.0 112.125 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.4 t -67.38 -45.88 74.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -76.33 -17.39 59.44 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.119 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -43.21 57.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.791 0.329 . . . . 10.0 110.66 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -71.82 -28.56 63.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.067 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.67 -37.16 83.06 Favored 'General case' 0 N--CA 1.461 0.082 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -68.64 -38.4 80.45 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . 0.547 HD22 ' CG1' ' A' ' 67' ' ' VAL . 5.8 m-20 -62.01 -55.07 33.03 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.057 -0.974 . . . . 10.0 111.283 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.7 -28.01 68.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 10.0 112.214 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -50.98 65.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.591 0.234 . . . . 10.0 111.056 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.79 -29.98 40.48 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.059 0.762 . . . . 10.0 113.059 -178.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -72.81 -41.51 64.82 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.68 -32.36 57.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.145 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . 0.47 ' O ' HG22 ' C' ' 65' ' ' VAL . 55.0 tt0 -64.46 -47.11 80.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.971 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 62' ' ' SER . . . . . 0.414 ' HB2' ' OE1' ' D' ' 48' ' ' GLN . 79.9 p -70.9 -27.26 63.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.605 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -48.38 66.81 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.021 0.438 . . . . 10.0 110.723 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 64' ' ' THR . . . . . 0.532 ' O ' ' HB3' ' C' ' 68' ' ' PHE . 12.9 m -66.43 -37.61 85.56 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.699 -0.682 . . . . 10.0 111.741 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . 0.67 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 90.9 t -65.06 -63.28 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . 0.451 ' NZ ' ' HG2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -63.22 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.291 1.219 . . . . 10.0 114.291 -177.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.57 -36.33 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . 0.532 ' HB3' ' O ' ' C' ' 64' ' ' THR . 0.0 OUTLIER -70.33 -21.47 62.91 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.992 0.425 . . . . 10.0 109.882 178.117 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.67 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 66.1 mmtt -70.98 -36.06 72.35 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.307 178.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -66.81 -32.24 73.39 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.681 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.32 -44.99 86.9 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.261 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.32 -31.77 70.44 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.426 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.89 -29.64 65.78 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.26 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.69 -35.53 60.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.83 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.96 -42.97 89.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.251 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pp -72.82 -22.36 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.532 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -76.53 -31.28 57.53 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.024 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.945 178.722 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 48.5 p . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.698 0.285 . . . . 10.0 111.064 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.17 -27.98 59.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.423 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -62.98 -46.31 88.29 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.858 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . 0.546 ' O ' HG23 ' D' ' 20' ' ' VAL . 43.8 m-85 -77.52 -29.19 52.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.236 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.54 -51.15 61.99 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -75.06 -23.82 58.14 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.723 0.297 . . . . 10.0 111.458 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.15 82.12 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.81 -0.709 . . . . 10.0 111.949 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . 0.546 HG23 ' O ' ' D' ' 16' ' ' PHE . 34.2 m -116.01 33.46 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 121.06 0.457 . . . . 10.0 111.298 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.93 -57.05 14.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.674 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -80.71 -5.6 57.27 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.167 0.508 . . . . 10.0 110.849 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . 0.521 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 1.8 tm? -71.26 -36.97 71.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.667 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -65.38 -33.06 75.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.16 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -71.84 -34.02 68.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.44 -31.17 68.24 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.679 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.14 -43.55 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.284 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 22.3 p -72.12 -29.92 64.55 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.539 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -71.94 -41.84 67.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.75 -28.72 67.06 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.665 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.626 HD12 ' HH ' ' D' ' 47' ' ' TYR . 14.1 tp -70.03 -38.44 75.87 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.361 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.67 -32.84 68.3 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.61 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' D' ' 37' ' ' LYS . 32.6 mmtp -65.71 -38.11 88.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.498 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.528 HD23 ' HE1' ' B' ' 16' ' ' PHE . 1.9 mt -65.65 -25.05 67.18 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.04 -51.44 42.25 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.01 18.05 21.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.973 0.731 . . . . 10.0 112.973 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' D' ' 33' ' ' LYS . 13.6 mptt -117.75 103.82 50.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.381 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.85 -68.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.072 2.514 . . . . 10.0 112.877 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -111.19 128.58 55.96 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 110.389 -0.226 . . . . 10.0 110.389 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.776 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 51.9 m-20 -136.02 105.9 9.61 Favored Pre-proline 0 C--O 1.219 -0.545 0 N-CA-C 114.264 1.209 . . . . 10.0 114.264 -177.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -65.55 -45.14 7.32 Favored 'Trans proline' 0 C--N 1.33 -0.397 0 C-N-CA 121.979 1.786 . . . . 10.0 111.347 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.42 -56.78 4.18 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 113.509 0.929 . . . . 10.0 113.509 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.56 -33.25 74.58 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.587 1.328 . . . . 10.0 114.587 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.776 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.0 OUTLIER -69.13 -42.45 75.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.954 0.353 . . . . 10.0 111.954 -179.355 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.43 -31.43 62.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.455 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.49 -40.96 69.86 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . 0.626 ' HH ' HD12 ' D' ' 31' ' ' LEU . 75.7 t80 -68.68 -32.91 73.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.556 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . 0.557 ' OE1' HG22 ' A' ' 75' ' ' ILE . 18.8 tt0 -63.16 -42.89 99.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.252 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 42.0 t -75.35 -38.26 60.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.796 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . 0.424 ' HD2' ' CD2' ' D' ' 23' ' ' LEU . 34.7 mmtm -74.58 -31.49 62.08 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . 0.42 HD22 ' CZ ' ' A' ' 79' ' ' PHE . 42.1 tp -73.35 -42.03 62.75 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.652 0.263 . . . . 10.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 89.4 p -68.64 -28.6 67.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.425 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.1 -36.3 83.87 Favored 'General case' 0 C--N 1.338 0.075 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -65.79 -34.05 77.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.001 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.12 -54.4 45.0 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.929 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.55 -26.88 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.55 0.944 . . . . 10.0 113.55 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -58.98 -45.88 89.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -36.21 25.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.498 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.5 -51.51 50.19 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.09 -33.38 73.42 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.887 0.329 . . . . 10.0 111.887 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.49 -54.0 43.2 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.666 -0.243 . . . . 10.0 110.966 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 83.4 p -70.94 -22.1 62.26 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.63 -52.52 25.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.68 -37.14 86.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.267 -0.424 . . . . 10.0 112.1 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.96 -37.9 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.829 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.205 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.375 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.555 ' CZ2' HD22 ' B' ' 23' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.417 0.151 . . . . 10.0 111.065 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -149.89 154.33 38.16 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.82 171.0 35.7 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 111.197 -0.761 . . . . 10.0 111.197 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -66.74 -46.03 76.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.159 0.48 . . . . 10.0 111.626 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.62 -29.56 61.34 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.713 0.292 . . . . 10.0 110.627 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.11 -35.74 69.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.02 0.438 . . . . 10.0 109.898 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 28.1 t70 -73.09 -41.78 63.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.424 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.19 -28.22 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 111.763 0.283 . . . . 10.0 111.763 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -71.61 -37.61 70.92 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.26 -23.5 59.14 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.147 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.684 ' HZ2' ' HB2' ' C' ' 35' ' ' ALA . 5.2 mmmp? -63.35 -47.02 83.86 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.551 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -73.62 -30.57 63.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.203 -0.908 . . . . 10.0 111.355 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.67 -51.81 56.5 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 m -73.4 -23.35 60.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.109 0.481 . . . . 10.0 109.759 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.44 -52.11 42.66 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.35 -0.841 . . . . 10.0 113.241 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 17.3 m -112.73 32.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.2 -55.45 31.95 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.555 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -72.57 -18.57 61.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.218 0.532 . . . . 10.0 110.454 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.91 -34.33 71.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.348 -0.842 . . . . 10.0 110.795 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 87.0 mm-40 -61.04 -47.73 85.04 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.927 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -68.22 -26.39 65.68 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.567 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -70.91 -30.37 66.69 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.648 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.5 -45.17 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-O 120.832 0.348 . . . . 10.0 110.257 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -73.36 -24.84 60.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.623 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -76.29 -39.46 54.14 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.889 0.376 . . . . 10.0 110.489 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.65 -24.49 58.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.406 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.67 -36.61 67.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.334 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.56 -37.59 74.01 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.651 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -71.13 -33.44 70.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.098 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -35.26 73.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.321 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.78 -25.4 61.16 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.93 0.12 57.48 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.89 0.33 . . . . 10.0 111.89 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -125.74 142.7 42.85 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.84 -65.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.648 2.232 . . . . 10.0 111.846 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 p -150.11 125.51 10.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.047 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.726 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 1.1 m-20 -128.13 114.84 20.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.63 -34.72 62.24 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.306 2.004 . . . . 10.0 111.72 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.83 56.21 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.906 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.726 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 4.1 mm? -72.01 -29.08 63.84 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.0 -32.1 56.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.742 -0.208 . . . . 10.0 111.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.04 -37.03 64.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.915 0.388 . . . . 10.0 110.67 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.42 -39.95 64.63 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.856 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -69.87 -33.44 72.24 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.108 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -64.13 -43.18 96.08 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.698 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.0 t -70.98 -38.59 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.934 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -74.05 -23.2 59.34 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -74.44 -38.76 62.91 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.827 0.346 . . . . 10.0 110.665 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.4 p -71.34 -29.61 65.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.84 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.76 -36.57 78.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.933 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -69.98 -36.23 75.02 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.673 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 15.3 t30 -65.29 -35.25 80.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.221 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -31.5 63.65 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.502 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.54 -48.69 68.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.094 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.28 -28.02 61.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.686 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -76.12 -44.8 36.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.798 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.28 -31.28 71.49 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.824 0.345 . . . . 10.0 111.142 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -71.14 -44.8 64.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.796 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.9 p -71.39 -26.83 62.94 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.078 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -41.93 61.91 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.314 -0.403 . . . . 10.0 112.042 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.1 p -67.97 -38.59 82.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.2 t -71.27 -28.96 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 10.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -72.99 -47.53 44.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -72.54 -39.43 61.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.92 0.391 . . . . 10.0 111.386 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.657 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 10.3 t80 -65.09 -45.3 85.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.705 -0.679 . . . . 10.0 111.707 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -67.95 -33.79 75.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.524 0.564 . . . . 10.0 112.524 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.86 -54.06 51.17 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.939 0.4 . . . . 10.0 111.038 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -67.61 -37.45 78.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.179 -179.405 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.11 -36.05 83.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.756 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.28 75.55 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.51 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.15 81.34 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 10.0 110.718 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.47 HG22 ' OE1' ' D' ' 48' ' ' GLN . 25.8 mt -66.45 -36.89 78.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.549 0.69 . . . . 10.0 109.496 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.537 HD13 HD23 ' D' ' 44' ' ' LEU . 0.9 OUTLIER -55.43 -47.15 78.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 114.508 -1.224 . . . . 10.0 112.389 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.23 -10.26 59.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.652 -0.419 . . . . 10.0 112.059 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -70.39 -24.0 62.87 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.667 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 25.8 m-85 -69.41 87.76 0.46 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.201 -1.363 . . . . 10.0 110.279 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.069 -0.967 . . . . 10.0 111.957 -179.742 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.298 0 N-CA-C 112.188 -0.365 . . . . 10.0 112.188 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -66.96 -48.83 67.33 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -75.09 -26.1 59.04 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.764 0.316 . . . . 10.0 111.058 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -72.53 -38.36 68.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.124 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -73.35 -36.25 66.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.839 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.729 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 0.9 OUTLIER -67.84 -28.1 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.028 0.442 . . . . 10.0 111.242 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 70.7 m -74.23 -36.84 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.33 -33.58 61.14 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.461 -0.79 . . . . 10.0 112.295 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . 0.729 ' HG2' ' HA ' ' B' ' 12' ' ' VAL . 0.0 OUTLIER -64.38 -39.0 93.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.729 0.299 . . . . 10.0 110.969 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -75.33 -29.95 60.13 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.373 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -65.81 -54.04 32.13 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.943 1.09 . . . . 10.0 113.943 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -71.67 -22.39 61.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.253 0.549 . . . . 10.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.55 -51.71 34.91 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 115.24 -0.891 . . . . 10.0 115.083 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' B' ' 24' ' ' GLN . 22.7 m -110.74 28.0 2.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 120.968 0.413 . . . . 10.0 111.781 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.6 -39.04 93.36 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.066 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -72.92 -35.95 67.15 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.555 HD22 ' CZ2' ' A' ' 5' ' ' TRP 0.277 2.2 pp -71.63 -21.77 61.78 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' B' ' 20' ' ' VAL . 86.2 mm-40 -58.86 -48.28 81.91 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 10.0 110.267 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.2 t -72.99 -25.95 61.17 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.538 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -70.69 -29.42 65.71 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.444 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.544 HG22 ' O ' ' B' ' 23' ' ' LEU . 87.4 t -71.48 -45.62 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 31.3 p -71.39 -24.95 62.16 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.151 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.63 -38.45 54.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.231 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.88 -25.31 58.86 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.47 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.99 -36.02 66.99 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.846 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.36 -38.96 78.34 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.07 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -71.44 -26.4 62.71 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.065 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -40.21 69.07 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.552 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.74 -19.46 59.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.763 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.15 -10.46 49.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.774 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -122.19 148.03 50.95 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.205 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -65.33 -59.92 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.702 2.268 . . . . 10.0 111.426 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p -157.97 125.82 5.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.702 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.26 112.25 11.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.249 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.61 -29.32 69.96 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.815 2.343 . . . . 10.0 112.906 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.0 -43.63 61.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.69 -26.83 61.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.594 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.81 -32.08 61.88 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.541 -0.3 . . . . 10.0 111.332 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.91 -36.6 64.74 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.361 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.68 -39.48 64.37 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.632 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -70.37 -32.68 70.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.855 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -61.91 -49.46 76.1 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.344 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.0 p -69.41 -37.81 77.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.277 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -71.99 -27.36 62.7 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.15 -39.86 71.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.511 . . . . 10.0 109.712 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -72.7 -28.41 62.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.437 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.88 -35.98 77.54 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.161 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.89 -34.57 76.92 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.634 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 64.0 t30 -66.36 -28.83 68.96 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.364 -0.835 . . . . 10.0 109.749 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -43.32 87.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.673 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.26 -52.22 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.738 -0.664 . . . . 10.0 112.522 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -23.97 62.14 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.634 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 1.1 t-20 -78.97 -61.7 1.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.901 1.074 . . . . 10.0 113.901 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.12 -31.23 68.75 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.541 0.21 . . . . 10.0 110.543 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.08 -50.08 67.55 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.785 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 95.8 p -70.68 -27.47 64.04 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.967 0.413 . . . . 10.0 111.177 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.667 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 3.4 m120 -73.55 -39.14 64.94 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.401 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -71.01 -40.17 71.97 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.22 -30.52 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.595 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -67.09 -45.13 78.2 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.579 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.82 -44.63 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-O 120.787 0.327 . . . . 10.0 111.498 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -63.51 -50.71 68.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 10.0 112.372 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -33.9 77.0 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 113.192 0.812 . . . . 10.0 113.192 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.87 -57.45 12.73 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.874 0.368 . . . . 10.0 111.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 pp -71.33 -26.97 27.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.64 -34.71 74.42 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 10.0 110.262 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.36 68.18 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.493 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.72 84.81 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.828 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.4 mt -71.8 -38.21 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.784 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.45 -41.19 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.73 -17.72 59.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.086 -0.507 . . . . 10.0 110.709 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -75.07 -27.04 59.79 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.713 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.233 0.208 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.684 179.155 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 2.2 m95 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.592 0.234 . . . . 10.0 110.632 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -137.14 148.36 46.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 10.0 111.397 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.03 165.09 25.84 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.309 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.93 -44.84 79.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.693 0.282 . . . . 10.0 111.623 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -29.34 60.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.846 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.76 -33.42 68.62 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.504 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' C' ' 15' ' ' LYS . 26.8 t70 -72.74 -44.87 61.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.093 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.14 -27.95 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 112.057 0.392 . . . . 10.0 112.057 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m -69.84 -37.85 76.32 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.19 -23.98 61.35 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.803 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . 0.499 ' HZ2' ' HB3' ' C' ' 15' ' ' LYS . 3.2 mmmp? -65.29 -43.26 91.71 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . 0.446 ' HB3' ' CD1' ' C' ' 57' ' ' TYR . 31.0 m-85 -77.39 -33.06 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.448 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -64.82 -45.07 87.76 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.533 0.568 . . . . 10.0 112.533 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -79.4 -25.75 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 10.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.29 -47.91 55.44 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.722 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.437 HG23 ' O ' ' C' ' 16' ' ' PHE . 30.4 m -109.19 31.84 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.16 -55.94 26.5 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.241 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -77.97 -14.1 59.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.574 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.14 -35.2 71.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.49 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' C' ' 20' ' ' VAL . 87.7 mm-40 -61.01 -47.66 85.43 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.755 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -68.13 -26.01 65.58 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.412 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -71.44 -29.31 64.72 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.564 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.67 -45.64 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.934 0.397 . . . . 10.0 110.304 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 28.4 p -72.75 -25.78 61.32 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.507 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -75.38 -38.71 59.81 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.547 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.25 -24.24 60.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.506 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.1 -36.53 69.51 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.069 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.53 -39.39 81.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.299 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -71.59 -40.62 69.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.784 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.12 -52.78 53.33 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . 0.684 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . . . -68.97 -19.34 64.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -178.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.45 12.41 31.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.338 0.589 . . . . 10.0 111.843 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -135.15 138.46 29.25 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.444 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -54.39 -70.99 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 123.182 2.588 . . . . 10.0 113.688 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 22.1 m -141.4 125.73 17.56 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.733 0.301 . . . . 10.0 111.366 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . 0.593 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 2.4 m-20 -132.13 104.4 13.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.159 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -64.18 -33.14 61.78 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.227 1.951 . . . . 10.0 112.244 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.33 -37.25 60.84 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.911 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.593 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.1 mm? -72.45 -28.46 62.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.76 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.4 -32.97 62.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.628 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.95 -37.98 64.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.043 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.51 66.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.187 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -71.67 -33.33 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.273 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -62.9 -47.94 81.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.77 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.3 t -67.96 -39.07 83.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.354 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -73.85 -22.2 59.84 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.39 -40.88 66.89 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.748 0.308 . . . . 10.0 110.742 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 52.5 p -74.05 -28.42 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.017 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.79 -36.61 83.69 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . 0.613 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 41.9 t80 -73.64 -33.03 64.32 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.192 -0.913 . . . . 10.0 108.679 177.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -65.23 -43.04 92.7 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.203 -0.908 . . . . 10.0 111.025 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -28.61 61.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' C' ' 16' ' ' PHE . 0.5 OUTLIER -67.04 -49.73 64.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.719 0.295 . . . . 10.0 111.265 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.475 ' HB2' HD11 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -72.38 -33.49 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.773 -179.219 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.31 -33.73 71.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.79 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.3 -29.93 65.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.206 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -72.34 -45.11 61.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 58.5 p -70.0 -24.89 63.37 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.706 0.289 . . . . 10.0 110.692 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -46.86 29.67 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.901 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 15.6 p -65.1 -38.46 90.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.94 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.77 -28.49 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 120.856 0.36 . . . . 10.0 110.603 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -75.6 -47.96 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.875 0.694 . . . . 10.0 112.875 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 18.2 m -72.57 -38.57 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 113.193 0.812 . . . . 10.0 113.193 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -68.61 -40.47 80.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.812 0.339 . . . . 10.0 110.924 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' C' ' 69' ' ' LYS . 26.1 mmtp -72.64 -33.52 66.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.92 0.711 . . . . 10.0 112.92 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.98 -50.93 71.69 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.83 0.348 . . . . 10.0 110.892 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 28.6 pt -74.9 -26.01 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.95 -33.65 68.36 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.801 0.334 . . . . 10.0 110.615 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.38 71.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.365 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.14 87.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.811 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.73 -38.83 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.822 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.94 -39.02 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.455 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -71.71 -19.11 62.1 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.818 0.342 . . . . 10.0 110.393 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.026 178.449 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.652 0.263 . . . . 10.0 110.614 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.8 -24.65 63.52 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.557 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . 0.538 ' HB3' ' HZ2' ' D' ' 15' ' ' LYS . 4.6 mmmp? -68.57 -38.93 81.13 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.79 0.329 . . . . 10.0 110.536 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -77.71 -33.8 52.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.898 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -64.89 -49.97 68.39 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.09 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -78.46 -27.41 46.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.592 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.99 -47.37 89.3 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.125 -0.559 . . . . 10.0 113.078 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 m -115.55 32.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 10.0 111.735 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.55 -45.19 92.55 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.434 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -75.38 -19.46 59.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.471 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -71.71 -32.91 68.31 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.143 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.75 -45.62 91.66 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.314 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -72.89 -26.04 61.29 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.307 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -71.78 -30.61 65.73 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.461 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t -72.16 -43.25 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.394 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 35.3 p -73.39 -24.78 60.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.198 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.96 -36.58 56.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.672 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.94 -29.79 58.46 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.573 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -35.89 70.26 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.475 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.28 -38.9 71.8 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.825 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -66.86 -47.57 71.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.986 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -57.97 -24.36 57.72 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.675 0.61 . . . . 10.0 112.577 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . 0.685 ' HA ' ' HZ3' ' B' ' 15' ' ' LYS . . . -49.66 -52.9 27.54 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.352 . . -99.73 26.2 6.46 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 115.972 1.842 . . . . 10.0 115.972 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -131.02 110.77 15.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.203 -1.036 . . . . 10.0 108.203 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . 0.43 ' HG3' ' CZ3' ' A' ' 5' ' ' TRP . 18.7 Cg_endo -57.32 -74.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.944 2.429 . . . . 10.0 113.634 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -107.58 133.4 52.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 7.8 m-20 -135.69 110.18 10.27 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.657 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 42.7 Cg_endo -68.6 -45.59 2.33 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 122.74 2.293 . . . . 10.0 110.689 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.401 ' HA ' ' CZ ' ' C' ' 58' ' ' ARG . . . -78.1 -52.37 8.84 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.812 -1.086 . . . . 10.0 112.436 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.7 mm? -64.12 -28.82 70.03 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.684 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -81.8 -35.9 29.0 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 179.564 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.27 -34.54 65.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.876 0.37 . . . . 10.0 110.455 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.36 -37.83 65.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.172 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 12.9 t80 -70.72 -32.75 70.06 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.116 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . 0.47 ' OE1' HG22 ' A' ' 75' ' ' ILE . 7.5 tt0 -63.31 -40.74 98.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.269 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 23.9 t -75.03 -40.03 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.417 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -74.51 -24.61 59.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 0.5 OUTLIER -74.32 -37.73 63.5 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.017 0.437 . . . . 10.0 109.908 179.123 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 91.6 p -73.4 -28.89 62.25 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.356 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.0 -36.5 72.49 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.235 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -72.39 -28.59 63.09 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -59.88 -48.85 80.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.42 -1.264 . . . . 10.0 110.968 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -27.48 59.22 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 113.607 0.966 . . . . 10.0 113.607 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -57.18 -44.46 83.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 10.0 110.395 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -81.34 -29.73 34.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.775 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -75.79 -43.0 48.47 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.45 70.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.541 -0.299 . . . . 10.0 110.671 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -69.72 -40.51 76.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.361 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 91.2 p -71.12 -25.69 62.69 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.927 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.31 -42.5 44.95 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.986 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -62.1 -38.04 87.36 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.646 0.26 . . . . 10.0 111.599 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.64 -29.91 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.768 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 tptp . . . . . 0 C--N 1.333 -0.139 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.686 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.1 t90 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.912 0.387 . . . . 10.0 111.393 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -130.9 143.17 50.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.28 160.31 30.8 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.316 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -66.95 -33.05 74.73 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.728 0.299 . . . . 10.0 111.009 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.692 ' H ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -66.79 -31.69 72.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.878 179.186 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.3 -33.15 67.18 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.947 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.23 -37.3 80.68 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.653 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.13 -38.1 79.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.879 0.371 . . . . 10.0 110.688 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.447 ' HB3' HE21 ' A' ' 61' ' ' GLN . 60.3 m -66.12 -37.89 86.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.319 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.1 57.63 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.469 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -64.09 -51.81 62.25 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.798 0.332 . . . . 10.0 110.781 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 20' ' ' VAL . 20.7 m-85 -69.16 -29.36 67.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.396 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.42 -39.15 91.77 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.747 -0.661 . . . . 10.0 112.493 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.0 m -68.78 -32.43 72.16 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.646 0.26 . . . . 10.0 110.669 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.78 -30.48 74.55 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.649 -0.581 . . . . 10.0 111.649 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 28.0 m -120.15 33.38 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.21 -56.16 25.67 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.42 0.896 . . . . 10.0 113.42 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -81.2 -0.24 39.62 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.395 0.617 . . . . 10.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -71.17 -36.67 72.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.837 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -56.33 -46.94 79.67 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -72.3 -26.48 61.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.268 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.23 -32.02 69.7 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.994 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.3 t -68.33 -46.47 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.365 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -68.0 -30.68 69.99 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.908 -0.587 . . . . 10.0 112.031 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -76.07 -41.13 51.52 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.169 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.0 71.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 ' HH ' ' A' ' 47' ' ' TYR . 57.7 tp -73.07 -36.66 66.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.668 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.71 -39.0 80.68 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.522 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -71.2 -40.2 71.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.406 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -28.64 67.95 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.601 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.69 -22.78 63.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.846 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.84 -2.42 18.46 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -107.95 123.5 37.54 Favored Pre-proline 0 N--CA 1.462 0.174 0 CA-C-N 116.609 -0.269 . . . . 10.0 111.427 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -61.9 -64.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.918 2.412 . . . . 10.0 111.818 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 p -140.45 123.73 16.8 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.936 0.398 . . . . 10.0 111.064 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.27 112.85 8.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.457 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -62.48 -38.85 49.4 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.413 2.076 . . . . 10.0 112.491 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.35 -41.22 57.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.71 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.696 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 4.2 mm? -72.12 -25.25 61.65 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.243 0.461 . . . . 10.0 112.243 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.4 tp -74.77 -38.97 62.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.921 0.391 . . . . 10.0 110.372 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.9 -31.59 63.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.294 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.81 65.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.009 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.499 ' HH ' HD12 ' A' ' 31' ' ' LEU . 63.2 t80 -69.51 -35.11 75.2 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.307 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -69.05 -45.86 69.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.329 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 41.5 t -68.87 -41.83 77.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.378 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -69.49 -29.55 67.22 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.91 0.708 . . . . 10.0 112.91 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -73.33 -29.7 62.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.951 0.405 . . . . 10.0 110.33 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.8 m -73.84 -30.03 62.45 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.56 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.538 ' HG2' ' HA ' ' C' ' 38' ' ' PRO . 34.9 mt-10 -70.56 -36.83 73.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.623 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.05 -35.12 77.72 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 27.4 t30 -64.53 -46.62 82.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.181 -0.918 . . . . 10.0 110.462 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.98 -28.46 65.55 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -53.37 47.25 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.711 -0.222 . . . . 10.0 111.111 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -29.03 59.36 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.292 0.479 . . . . 10.0 112.292 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -69.91 -45.18 68.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.588 -0.278 . . . . 10.0 111.202 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.33 65.0 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.112 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.447 HE21 ' HB3' ' A' ' 13' ' ' SER . 61.5 tt0 -70.99 -42.97 68.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.9 p -71.72 -26.89 62.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.893 0.378 . . . . 10.0 110.86 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -74.63 -36.03 62.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.729 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.8 p -70.45 -42.59 71.29 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.79 -31.0 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.8 0.333 . . . . 10.0 110.933 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -75.38 -48.08 24.58 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.1 t -75.37 -41.1 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.676 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 77.5 t80 -62.37 -39.47 93.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.297 0.57 . . . . 10.0 111.407 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' HG3' ' OG ' ' B' ' 52' ' ' SER . 0.3 OUTLIER -66.72 -35.82 81.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.551 179.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -66.76 -27.86 67.94 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.035 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.85 -54.49 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.546 0.689 . . . . 10.0 109.994 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.587 ' O ' HG22 ' A' ' 76' ' ' ILE . 20.4 m-20 -64.36 -30.49 71.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.372 -1.286 . . . . 10.0 112.699 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 76' ' ' ILE . . . -59.26 -40.68 86.79 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.091 0.472 . . . . 10.0 111.539 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.655 ' O ' ' HG2' ' A' ' 77' ' ' GLN . . . -75.56 -28.06 58.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.929 0.395 . . . . 10.0 111.127 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.468 ' HA ' ' ND2' ' A' ' 78' ' ' ASN . 8.2 mt -68.43 -34.1 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.075 0.464 . . . . 10.0 110.636 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.701 HD12 HD22 ' B' ' 55' ' ' ASN . 9.8 pt -74.96 -24.94 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.482 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 74' ' ' ALA . 2.6 pt20 -68.9 -27.82 66.12 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 75' ' ' ILE . 6.8 m-20 -73.93 -33.68 64.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.299 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -66.21 143.8 57.02 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.647 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.139 -0.934 . . . . 10.0 111.498 179.111 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.966 -0.054 . . . . 10.0 112.966 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -67.07 -35.63 80.24 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.841 0.353 . . . . 10.0 111.012 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.446 HD22 ' H ' ' B' ' 9' ' ' LEU . 0.8 OUTLIER -69.52 -31.69 70.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.121 179.676 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.78 -33.2 66.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.672 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.73 -40.06 80.07 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.421 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -28.02 30.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.935 0.398 . . . . 10.0 111.511 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 72.7 m -70.41 -37.18 74.42 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.57 57.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.359 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -59.07 -55.14 38.87 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.925 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . 0.435 ' O ' HG23 ' B' ' 20' ' ' VAL . 10.2 m-85 -72.8 -28.71 62.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.973 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.69 -48.81 70.78 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.7 m -62.22 -27.37 68.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.857 0.36 . . . . 10.0 111.659 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.35 -31.84 58.68 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.749 -0.738 . . . . 10.0 112.249 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.451 ' HB ' HD22 ' B' ' 23' ' ' LEU . 27.0 m -115.74 31.91 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.055 0.455 . . . . 10.0 110.364 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.17 -54.7 43.97 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.57 -0.741 . . . . 10.0 112.476 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -78.25 -2.84 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.533 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.451 HD22 ' HB ' ' B' ' 20' ' ' VAL . 23.2 tp -72.32 -32.93 66.98 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.804 0.668 . . . . 10.0 112.804 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -55.83 -48.19 75.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.824 0.345 . . . . 10.0 111.395 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -73.62 -26.58 60.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.068 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -72.01 -37.75 69.72 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.702 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.78 -32.61 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.688 -0.233 . . . . 10.0 111.496 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 32.0 p -77.08 -29.57 55.06 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.755 0.312 . . . . 10.0 110.709 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -77.13 -36.54 55.33 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.362 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.02 -31.48 70.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.631 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.432 HD12 ' HH ' ' B' ' 47' ' ' TYR . 52.1 tp -73.1 -36.16 66.73 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.239 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.02 -38.78 76.01 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.571 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -71.41 -33.94 69.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.202 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -31.03 67.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.49 -16.34 60.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.412 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.59 -6.98 20.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.309 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -106.61 129.5 24.35 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.379 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -63.22 -54.98 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.684 2.256 . . . . 10.0 110.705 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.9 p -154.57 124.07 6.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.974 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . 0.55 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 3.4 t70 -137.18 109.49 8.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.647 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.63 -35.6 79.95 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.714 2.276 . . . . 10.0 112.513 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.63 -44.43 56.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.304 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.55 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.6 mm? -72.33 -20.66 61.45 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -75.73 -44.72 40.43 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.902 0.382 . . . . 10.0 110.492 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.03 -28.4 62.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.827 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.39 -46.6 47.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.803 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.432 ' HH ' HD12 ' B' ' 31' ' ' LEU . 81.9 t80 -65.82 -36.06 82.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.137 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -66.44 -42.09 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.163 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -67.71 -43.5 79.91 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.094 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -70.14 -28.57 65.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 10.0 112.091 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.1 -29.79 67.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.466 ' OG ' ' HG3' ' A' ' 69' ' ' LYS . 18.3 m -65.21 -53.19 48.27 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 115.41 -0.813 . . . . 10.0 110.403 178.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . 0.426 ' OE1' ' HB2' ' D' ' 38' ' ' PRO . 0.7 OUTLIER -54.19 -35.21 62.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.731 -1.122 . . . . 10.0 111.707 -178.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -67.81 -41.7 82.68 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.701 HD22 HD12 ' A' ' 76' ' ' ILE . 8.2 t30 -69.92 -27.54 64.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.701 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.88 -34.49 66.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.233 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -54.11 9.47 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.258 0.836 . . . . 10.0 113.258 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -36.79 79.59 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 114.224 1.194 . . . . 10.0 114.224 -177.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.439 ' OD1' ' HB ' ' A' ' 76' ' ' ILE . 27.6 t-20 -74.29 -50.32 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.099 0.778 . . . . 10.0 113.099 -178.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.45 70.64 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -68.01 -40.51 82.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.167 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m -70.67 -30.03 66.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.967 0.413 . . . . 10.0 110.142 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -72.6 -40.96 66.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.741 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 28.6 p -68.2 -41.38 81.44 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 69.5 t -72.44 -29.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.72 0.295 . . . . 10.0 111.281 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -75.66 -48.79 20.61 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.566 ' O ' HG13 ' B' ' 71' ' ' ILE . 49.1 t -69.75 -46.51 74.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 112.021 0.378 . . . . 10.0 112.021 -179.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -59.07 -33.11 70.42 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.209 0.318 . . . . 10.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -67.74 -35.8 79.4 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.981 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -74.52 -27.07 60.38 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.363 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 67' ' ' VAL . 25.4 mt -66.84 -48.54 79.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 121.02 0.438 . . . . 10.0 110.125 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . 0.457 ' O ' HG13 ' B' ' 76' ' ' ILE . 10.9 m-20 -69.94 -28.57 65.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.626 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.23 86.58 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.952 0.406 . . . . 10.0 110.703 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' B' ' 77' ' ' GLN . . . -70.55 -35.71 73.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.126 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.551 ' HA ' ' ND2' ' B' ' 78' ' ' ASN . 62.0 mt -64.35 -32.07 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.11 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 72' ' ' ASP . 54.8 mt -69.27 -38.32 77.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.711 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 74' ' ' ALA . 3.5 pt20 -68.48 -21.81 64.6 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.487 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.551 ' ND2' ' HA ' ' B' ' 75' ' ' ILE . 61.4 m-20 -74.69 -39.45 61.97 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.165 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.24 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.717 0.294 . . . . 10.0 110.578 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -130.03 136.6 49.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.234 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.62 164.3 33.88 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.598 -0.81 . . . . 10.0 112.978 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -67.24 -33.97 76.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.809 0.338 . . . . 10.0 111.313 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -29.7 69.65 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.501 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -72.09 -32.23 66.82 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.871 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.41 -36.84 74.28 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.476 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 t -68.72 -39.7 80.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.885 0.374 . . . . 10.0 110.942 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' SER . . . . . 0.548 ' HB3' HE21 ' C' ' 61' ' ' GLN . 63.0 m -66.39 -39.75 89.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.589 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -22.85 58.31 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.391 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -47.4 79.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.783 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . 0.416 ' O ' HG23 ' C' ' 20' ' ' VAL . 26.6 m-85 -72.31 -30.32 64.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.363 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -65.12 -38.47 90.76 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.634 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -63.34 -36.75 84.75 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.72 0.295 . . . . 10.0 111.388 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.5 -25.59 73.83 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.911 -0.661 . . . . 10.0 112.491 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 32.0 m -116.55 31.99 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.715 0.293 . . . . 10.0 111.305 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.81 -56.08 25.48 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -84.49 1.54 45.17 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.316 0.579 . . . . 10.0 110.558 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' C' ' 20' ' ' VAL . 1.2 tm? -71.76 -40.24 69.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.189 -0.914 . . . . 10.0 111.427 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -56.45 -44.9 80.94 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -72.8 -26.61 61.57 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.561 -0.291 . . . . 10.0 111.069 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.73 -32.58 69.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.898 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.83 -42.97 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.48 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 36.7 p -71.43 -29.23 64.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.772 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.43 -40.86 57.13 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.774 0.321 . . . . 10.0 110.566 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.35 69.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.476 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . 0.488 HD12 ' HH ' ' C' ' 47' ' ' TYR . 50.4 tp -72.99 -36.76 67.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.446 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.19 -36.5 81.88 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.436 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 64.0 mttp -70.96 -50.23 36.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.52 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.08 -25.52 65.37 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.01 -34.43 59.85 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.45 24.27 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 0.2 OUTLIER -105.04 117.5 58.46 Favored Pre-proline 0 N--CA 1.463 0.208 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' PRO . . . . . 0.538 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 96.9 Cg_exo -47.83 -72.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.322 3.348 . . . . 10.0 113.495 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 51.5 p -146.18 124.3 12.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.25 0.548 . . . . 10.0 111.661 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . 0.68 ' HB3' ' HB2' ' C' ' 43' ' ' LEU . 0.4 OUTLIER -137.85 103.7 8.29 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.44 179.121 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.92 -35.99 74.61 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.447 2.098 . . . . 10.0 112.133 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -40.77 57.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.4 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.68 ' HB2' ' HB3' ' C' ' 40' ' ' ASP . 4.2 mm? -72.7 -25.33 61.19 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.546 0.573 . . . . 10.0 112.546 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 45.0 tp -71.98 -40.88 68.27 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.804 0.335 . . . . 10.0 110.803 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.91 -30.67 62.71 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.496 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.74 63.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.156 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' TYR . . . . . 0.488 ' HH ' HD12 ' C' ' 31' ' ' LEU . 73.0 t80 -69.05 -36.79 78.06 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -69.17 -42.3 76.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.409 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 44.9 t -72.06 -38.81 69.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.445 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -71.05 -28.41 64.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.999 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.71 -29.91 61.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.896 0.379 . . . . 10.0 110.125 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 54.4 m -74.39 -29.65 61.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.142 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.45 -36.64 79.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.534 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -68.76 -29.4 67.78 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -66.47 -49.13 67.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.015 -0.993 . . . . 10.0 111.714 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.95 -28.29 65.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.762 0.652 . . . . 10.0 112.762 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -49.93 68.15 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.888 0.375 . . . . 10.0 110.999 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' ARG . . . . . 0.508 HH12 ' HB3' ' C' ' 62' ' ' SER . 0.0 OUTLIER -78.84 -26.92 44.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.934 -0.576 . . . . 10.0 112.018 -178.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' ASN . . . . . 0.432 HD21 ' HA ' ' C' ' 59' ' ' ASN . 0.2 OUTLIER -73.53 -42.58 61.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.313 . . . . 10.0 111.835 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -30.23 61.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.692 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' GLN . . . . . 0.548 HE21 ' HB3' ' C' ' 13' ' ' SER . 55.8 tt0 -68.85 -39.82 79.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.072 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 62' ' ' SER . . . . . 0.508 ' HB3' HH12 ' C' ' 58' ' ' ARG . 34.4 p -71.93 -30.43 65.32 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.577 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -72.15 -40.13 68.26 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.883 0.373 . . . . 10.0 110.611 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 64' ' ' THR . . . . . 0.427 ' O ' ' HB3' ' C' ' 68' ' ' PHE . 20.4 p -69.94 -40.66 75.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.84 -44.83 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -78.52 -48.15 15.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.701 1.0 . . . . 10.0 113.701 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.79 -40.87 81.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 113.392 0.886 . . . . 10.0 113.392 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 68' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' C' ' 64' ' ' THR . 50.3 t80 -65.51 -42.39 92.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.646 0.26 . . . . 10.0 111.165 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 69' ' ' LYS . . . . . 0.641 ' NZ ' HD22 ' D' ' 56' ' ' LEU . 7.5 mtpm? -67.29 -32.7 73.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.39 . . . . 10.0 112.044 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.21 -29.64 70.94 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.72 -43.95 89.78 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.584 178.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -68.0 -25.02 65.19 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.221 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.19 -33.93 74.11 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.555 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.76 -29.36 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.672 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.74 -44.93 78.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.355 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.6 pp -69.34 -24.6 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 120.979 0.419 . . . . 10.0 110.351 179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -69.01 -30.56 68.98 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.64 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.257 178.48 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' SER . . . . . 0.55 ' HB3' HE21 ' D' ' 61' ' ' GLN . 62.2 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.904 0.383 . . . . 10.0 110.601 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.9 -22.99 58.31 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.256 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -64.33 -47.67 78.52 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.674 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -74.17 -31.96 62.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.633 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.35 -40.51 93.69 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.153 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -68.88 -34.4 75.38 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.799 0.333 . . . . 10.0 111.225 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.15 90.65 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.683 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.21 33.66 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.003 0.43 . . . . 10.0 111.038 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.7 -46.97 86.12 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.539 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -82.56 -3.54 56.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 10.0 111.839 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -72.19 -33.5 67.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.872 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -58.3 -48.03 81.78 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.21 0.319 . . . . 10.0 111.757 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -72.76 -26.69 61.64 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.35 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -71.15 -33.13 69.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.945 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.7 -43.87 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.615 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 26.1 p -70.15 -30.04 67.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.698 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -76.65 -41.88 44.08 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.571 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.98 -28.8 65.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.899 0.38 . . . . 10.0 110.768 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . 0.448 HD12 ' HH ' ' D' ' 47' ' ' TYR . 37.9 tp -72.94 -37.24 67.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.51 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.46 -37.19 74.25 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.591 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' D' ' 37' ' ' LYS . 62.6 mttp -70.92 -35.18 72.16 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.552 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -25.0 62.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.444 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.25 65.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.924 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.0 8.96 12.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 10.0 111.848 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' D' ' 33' ' ' LYS . 1.2 mptm? -118.03 101.24 51.84 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.685 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' PRO . . . . . 0.426 ' HB2' ' OE1' ' B' ' 53' ' ' GLU . 22.1 Cg_exo -65.96 -73.01 0.02 OUTLIER 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.994 2.463 . . . . 10.0 113.442 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 5.4 p -110.78 118.87 37.32 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.556 -0.458 . . . . 10.0 111.62 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . 0.535 ' HB3' ' HB2' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -144.63 134.19 11.51 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 113.647 0.98 . . . . 10.0 113.647 179.652 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' PRO . . . . . 0.676 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 40.5 Cg_endo -69.88 -48.45 0.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.496 2.131 . . . . 10.0 111.865 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.02 25.14 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.186 -0.915 . . . . 10.0 112.871 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.535 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 1.8 mm? -65.4 -30.56 71.38 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 112.124 0.416 . . . . 10.0 112.124 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . 0.442 HD12 ' H ' ' D' ' 40' ' ' ASP . 5.3 mp -80.55 -29.96 37.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 10.0 110.665 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.11 82.64 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.925 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 46' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' D' ' 50' ' ' LYS . . . -63.13 -39.12 93.74 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.073 -0.967 . . . . 10.0 111.421 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 47' ' ' TYR . . . . . 0.448 ' HH ' HD12 ' D' ' 31' ' ' LEU . 7.7 t80 -71.28 -33.9 70.18 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -68.99 -49.12 60.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.759 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 14.8 t -74.46 -49.75 21.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.523 0.934 . . . . 10.0 113.523 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' D' ' 46' ' ' ALA . 12.6 mptt -64.76 -37.0 86.12 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.183 1.179 . . . . 10.0 114.183 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.77 -44.51 73.51 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.769 0.319 . . . . 10.0 111.055 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 99.6 p -72.61 -29.21 63.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.237 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.13 -36.93 85.64 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -65.03 -34.68 79.02 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.912 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 55' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' D' ' 59' ' ' ASN . 19.4 t30 -61.55 -45.03 95.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.585 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 56' ' ' LEU . . . . . 0.641 HD22 ' NZ ' ' C' ' 69' ' ' LYS . 2.5 mm? -73.58 -27.29 61.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.53 -46.83 81.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.703 0.287 . . . . 10.0 110.948 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -32.5 33.56 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.484 0.549 . . . . 10.0 112.484 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 59' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' D' ' 55' ' ' ASN . 0.1 OUTLIER -70.11 -44.74 68.36 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.35 -30.06 63.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.137 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 61' ' ' GLN . . . . . 0.55 HE21 ' HB3' ' D' ' 13' ' ' SER . 57.3 tt0 -68.2 -45.63 72.85 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.486 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 84.8 p -70.86 -24.42 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.823 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.84 -40.87 63.0 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.303 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 22.7 p -67.54 -37.8 83.24 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -69.99 -29.94 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 120.827 0.346 . . . . 10.0 110.682 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 tptp . . . . . 0 CA--C 1.53 0.191 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.612 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.758 0.313 . . . . 10.0 111.253 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.57 136.82 36.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.023 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.2 p -94.84 120.85 64.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.313 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -69.35 146.77 63.79 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.536 2.157 . . . . 10.0 111.688 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.645 ' CH2' ' HG2' ' D' ' 38' ' ' PRO . 0.2 OUTLIER -73.07 111.87 8.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.163 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -94.59 110.01 21.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.729 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.34 136.48 5.33 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.679 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -45.97 77.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.618 0.247 . . . . 10.0 111.303 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.562 ' H ' HD22 ' A' ' 9' ' ' LEU . 1.1 pt? -67.15 -37.35 83.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.038 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -72.01 -29.37 64.13 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.888 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.92 -37.8 79.14 Favored 'General case' 0 C--O 1.227 -0.091 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.611 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.11 -37.08 77.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.394 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.2 m -68.59 -43.7 75.93 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.56 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -22.97 61.05 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.016 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -63.63 -45.8 88.6 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.309 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 20' ' ' VAL . 17.2 m-85 -71.74 -28.87 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -64.93 -40.16 94.61 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -68.67 -27.52 66.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.085 0.469 . . . . 10.0 110.291 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.83 -48.53 10.0 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.744 -0.662 . . . . 10.0 112.995 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 16' ' ' PHE . 18.4 m -101.81 31.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.87 -56.35 22.84 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.417 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -87.0 -5.67 59.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.916 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.2 tm? -70.83 -33.32 70.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.37 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -61.58 -40.83 96.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.549 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.3 p -72.57 -26.62 61.79 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.022 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -73.02 -29.57 63.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.315 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 23' ' ' LEU . 57.7 t -71.5 -43.23 72.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.621 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 p -71.18 -31.78 68.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.643 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -39.39 76.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.956 0.408 . . . . 10.0 110.471 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.33 -24.32 50.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.386 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.9 tp -72.6 -43.23 63.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.921 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.55 -31.45 68.5 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.679 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HZ1' ' HB2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -71.32 -32.43 68.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.411 179.376 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -77.96 -31.64 50.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.001 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.78 -25.62 62.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 10.0 112.123 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.22 6.08 49.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 10.0 111.577 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -127.15 133.56 25.18 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.89 -66.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.8 2.333 . . . . 10.0 111.988 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.1 p -152.01 123.85 7.99 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.032 0.444 . . . . 10.0 111.307 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 1.3 p30 -137.95 124.33 13.1 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.458 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.02 -29.3 66.19 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.758 2.305 . . . . 10.0 112.948 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.85 -50.89 18.22 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.39 -24.1 61.2 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -69.96 -43.31 71.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 10.0 110.173 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.76 -32.51 63.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.87 68.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.937 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -70.27 -33.29 71.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.14 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -62.86 -43.3 99.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.354 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.3 t -72.71 -38.76 67.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -72.64 -24.73 61.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 10.0 112.006 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.14 -37.11 64.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.833 0.349 . . . . 10.0 110.553 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.2 p -72.19 -29.27 63.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.664 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -67.7 -36.93 81.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.935 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -71.46 -35.4 70.86 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.557 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.69 -35.41 80.7 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.274 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.65 -32.08 67.53 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.487 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.96 -47.02 66.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.747 0.308 . . . . 10.0 110.932 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -33.42 70.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 10.0 112.066 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -77.75 -39.69 43.43 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.93 -34.17 77.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.619 0.247 . . . . 10.0 111.17 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -71.87 -43.04 66.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.7 p -71.54 -25.6 62.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.305 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.44 -43.06 57.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.352 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.7 p -69.17 -37.79 78.36 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.55 -20.62 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 120.724 0.297 . . . . 10.0 111.327 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HB2' ' HZ1' ' A' ' 66' ' ' LYS . 4.1 ttmp? -83.64 -48.89 9.71 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.569 0.581 . . . . 10.0 112.569 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -70.13 -35.98 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.995 0.426 . . . . 10.0 111.458 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.637 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 9.9 t80 -70.5 -44.73 67.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 10.0 112.206 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -66.12 -35.67 81.11 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -52.83 63.63 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.99 0.424 . . . . 10.0 111.388 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.486 HD11 ' CB ' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -68.19 -34.82 68.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.94 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.06 -23.05 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 10.0 111.231 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.51 -33.43 66.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.035 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.25 96.18 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.272 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.491 HD13 ' HB3' ' D' ' 45' ' ' ALA . 0.6 OUTLIER -62.67 -50.47 79.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.275 -0.875 . . . . 10.0 110.589 179.603 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 HD12 HD21 ' B' ' 59' ' ' ASN . 0.4 OUTLIER -57.01 -35.33 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 114.746 -1.115 . . . . 10.0 112.303 -179.338 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -72.15 -25.03 61.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.292 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.474 HD21 ' HD3' ' C' ' 66' ' ' LYS . 20.3 t-20 -66.45 -32.67 74.19 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.816 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.849 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 78.5 m-85 -68.6 91.39 0.42 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.307 -0.86 . . . . 10.0 109.361 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.07 -0.966 . . . . 10.0 111.243 -179.33 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.702 0.287 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.61 139.74 30.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.3 p -99.59 119.29 60.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.028 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.43 140.85 53.94 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.745 2.296 . . . . 10.0 112.239 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -70.05 111.69 5.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.753 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 31.4 m -94.65 110.01 21.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.602 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.59 134.6 4.82 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.603 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.61 -45.53 78.85 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -36.61 78.87 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.432 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.42 -31.31 65.38 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.772 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.53 -37.93 86.06 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.601 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.3 t -67.16 -36.55 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.685 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.0 m -67.78 -47.61 68.66 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.931 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.25 62.6 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.047 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -63.22 -46.9 84.81 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.269 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.518 ' O ' HG23 ' B' ' 20' ' ' VAL . 20.7 m-85 -71.15 -29.13 64.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.589 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -64.71 -42.08 95.53 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 113.164 0.802 . . . . 10.0 113.164 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -63.45 -29.17 70.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.032 0.444 . . . . 10.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.17 -47.96 10.31 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.532 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 16' ' ' PHE . 22.4 m -101.63 31.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.835 0.35 . . . . 10.0 111.747 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.9 -47.25 87.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.524 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -93.42 -4.5 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.582 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.442 ' O ' HG22 ' B' ' 27' ' ' VAL . 34.2 tp -71.7 -29.86 65.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.621 0.248 . . . . 10.0 111.189 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.93 -41.27 95.88 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.036 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 50.2 p -73.57 -26.72 60.96 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.827 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -73.55 -31.39 63.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.357 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.442 HG22 ' O ' ' B' ' 23' ' ' LEU . 92.4 t -72.61 -40.47 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.762 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 20.2 p -71.79 -30.44 65.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.097 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -38.03 71.81 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.089 0.471 . . . . 10.0 110.111 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.23 -24.41 51.21 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.988 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 65.0 tp -72.9 -42.33 63.68 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.764 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.5 -31.6 68.76 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.411 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.599 ' HB2' ' HZ1' ' B' ' 33' ' ' LYS . 0.3 OUTLIER -71.65 -31.13 66.51 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.309 179.122 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -76.35 -34.72 58.96 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.752 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.27 -21.23 58.68 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.684 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.97 15.0 25.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.814 0.34 . . . . 10.0 111.059 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -137.68 135.58 19.21 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.868 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -62.05 -60.52 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.855 2.37 . . . . 10.0 112.016 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.2 p -157.03 125.23 5.59 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.98 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -137.2 117.84 10.73 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 10.0 112.058 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.23 -28.8 64.24 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.647 2.231 . . . . 10.0 112.557 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.17 -50.52 22.12 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.54 -21.09 61.22 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -42.01 69.61 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.68 -31.14 63.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.726 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.71 -51.16 24.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.869 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -64.45 -33.07 75.02 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.408 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.06 -46.05 89.33 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.064 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 38.8 t -70.57 -38.73 74.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.991 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -70.61 -27.43 64.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.005 -0.543 . . . . 10.0 112.012 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.23 -29.99 61.96 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -70.74 -30.65 67.23 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.935 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -73.87 -36.25 64.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.849 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -69.43 -33.08 72.43 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 61.2 t30 -70.22 -25.62 63.48 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.798 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -42.19 73.78 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.048 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.84 -49.77 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.379 -0.828 . . . . 10.0 112.162 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -30.83 67.69 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.241 0.83 . . . . 10.0 113.241 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.465 HD21 HD12 ' A' ' 76' ' ' ILE . 2.8 t30 -78.57 -61.04 2.14 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 113.855 1.057 . . . . 10.0 113.855 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.1 60.8 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 117.649 0.204 . . . . 10.0 111.277 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -66.26 -48.24 71.09 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.482 0.182 . . . . 10.0 111.196 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 91.8 p -70.93 -26.38 63.17 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.057 0.456 . . . . 10.0 111.09 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.849 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 7.1 m120 -71.52 -47.24 56.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.169 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -67.82 -40.94 83.74 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.106 0.41 . . . . 10.0 112.106 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.08 -22.19 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 120.768 0.318 . . . . 10.0 111.673 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.516 ' HB2' ' HZ1' ' B' ' 66' ' ' LYS . 4.2 ttmp? -79.26 -47.89 15.12 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.138 0.421 . . . . 10.0 112.138 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.471 HG22 ' O ' ' B' ' 63' ' ' ASN . 0.4 OUTLIER -72.61 -31.22 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -72.15 -39.18 68.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -69.08 -34.95 75.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.848 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -52.21 64.76 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.84 -29.65 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 120.78 0.324 . . . . 10.0 111.716 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -72.1 -30.92 65.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.529 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.33 -31.1 69.33 Favored 'General case' 0 N--CA 1.458 -0.063 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.334 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.74 81.8 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.652 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.7 mt -67.58 -45.17 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.771 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.63 -37.34 77.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.173 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.52 -24.02 63.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.923 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -72.58 -33.8 67.0 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.998 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.73 93.68 3.15 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.526 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.181 -0.914 . . . . 10.0 110.875 -179.414 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.722 0.296 . . . . 10.0 111.074 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.6 138.78 33.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 29.7 p -100.48 126.15 36.81 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.2 159.8 46.53 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.963 2.442 . . . . 10.0 112.835 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.79 111.27 14.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -94.73 109.43 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.537 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.35 141.53 8.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.039 -0.601 . . . . 10.0 112.079 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -46.16 75.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.744 0.307 . . . . 10.0 111.588 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.525 ' H ' HD22 ' C' ' 9' ' ' LEU . 0.6 OUTLIER -69.63 -35.09 74.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.623 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.33 -31.57 65.77 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.78 -38.02 82.84 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.225 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.41 HG11 HG21 ' C' ' 64' ' ' THR . 50.6 t -67.21 -39.16 82.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.871 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -67.59 -45.74 74.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.091 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.89 -23.48 62.3 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.399 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.32 -35.96 76.47 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.332 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . 0.435 ' O ' HG23 ' C' ' 20' ' ' VAL . 20.8 m-85 -75.26 -29.0 60.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.465 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -64.98 -38.98 92.76 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.106 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -66.43 -31.54 72.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.951 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.85 -43.22 23.31 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.856 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.435 HG23 ' O ' ' C' ' 16' ' ' PHE . 28.1 m -101.53 31.3 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 111.949 0.352 . . . . 10.0 111.949 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -60.9 -56.43 21.22 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.507 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -89.56 -5.19 57.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.051 0.453 . . . . 10.0 111.008 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.405 ' O ' HG22 ' C' ' 27' ' ' VAL . 3.2 tm? -70.67 -33.91 71.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.251 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -61.77 -41.58 97.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.461 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 38.8 p -71.75 -26.33 62.41 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.083 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -72.98 -29.14 62.83 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.264 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.405 HG22 ' O ' ' C' ' 23' ' ' LEU . 58.6 t -71.2 -44.13 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.451 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 19.3 p -70.88 -31.71 68.46 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.606 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -40.37 76.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.915 0.388 . . . . 10.0 110.637 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.11 -24.47 51.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.197 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.09 -44.29 65.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.756 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 -30.94 67.78 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.84 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . 0.505 ' HZ1' ' HB2' ' C' ' 33' ' ' LYS . 0.5 OUTLIER -67.19 -40.32 86.49 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.864 179.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -77.13 -31.67 55.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.84 -34.17 72.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 10.0 112.242 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.48 23.65 13.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.682 0.623 . . . . 10.0 112.682 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -130.65 119.78 18.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.38 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -49.09 -68.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.413 2.742 . . . . 10.0 113.226 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 20.6 p -151.9 124.35 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.145 0.498 . . . . 10.0 112.083 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.44 117.83 9.66 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.173 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.35 -28.47 63.2 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.683 2.255 . . . . 10.0 112.498 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.12 -48.86 21.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.357 0.503 . . . . 10.0 112.357 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.65 -21.72 61.05 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.72 -42.57 70.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.164 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.68 -30.18 62.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.879 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.42 -45.41 62.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.051 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -70.9 -33.16 70.27 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.214 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.33 -46.59 89.62 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.146 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 34.1 t -69.98 -38.95 76.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -72.48 -26.21 61.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 10.0 112.265 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -42.91 74.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.769 0.319 . . . . 10.0 111.012 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -74.23 -28.63 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.551 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.68 -36.5 78.9 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . 0.453 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 47.5 t80 -74.92 -36.23 62.17 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.331 177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -63.24 -43.41 98.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.146 -0.934 . . . . 10.0 111.072 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.81 -33.89 74.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.427 0.528 . . . . 10.0 112.427 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . 0.406 ' HH ' ' NH1' ' C' ' 58' ' ' ARG . 0.4 OUTLIER -68.62 -47.65 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 10.0 111.284 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.503 ' NH1' ' HA ' ' D' ' 42' ' ' ALA . 0.5 OUTLIER -69.17 -37.07 77.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.938 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' C' ' 63' ' ' ASN . 50.5 t30 -72.46 -25.2 61.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.513 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.29 -30.75 62.23 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.719 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -72.72 -44.71 61.34 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.993 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' SER . . . . . 0.526 ' HA ' HE22 ' D' ' 48' ' ' GLN . 37.2 p -70.78 -23.65 62.44 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' C' ' 59' ' ' ASN . 0.5 OUTLIER -75.95 -50.83 13.85 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.628 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' THR . . . . . 0.41 HG21 HG11 ' C' ' 12' ' ' VAL . 18.3 p -64.4 -37.83 88.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.908 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.32 -20.88 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.604 -0.271 . . . . 10.0 110.879 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . 0.474 ' HD3' HD21 ' A' ' 78' ' ' ASN . 2.2 ttpm? -82.4 -48.49 11.07 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.2 0.445 . . . . 10.0 112.2 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 18.0 m -71.93 -35.74 55.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -74.01 -34.66 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.226 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.77 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 0.1 OUTLIER -72.63 -35.88 67.91 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.598 0.592 . . . . 10.0 112.598 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -48.96 76.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.69 0.281 . . . . 10.0 111.351 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 15.2 tt -69.11 -36.74 74.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.765 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -71.12 -27.47 63.61 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.338 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.78 79.81 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.51 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.46 73.65 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.895 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 71.1 mt -71.34 -46.38 65.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.569 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.99 -30.12 48.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -76.26 -21.92 55.74 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.093 0.473 . . . . 10.0 109.927 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -70.33 -31.39 68.66 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.246 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -71.02 90.85 0.85 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.632 -0.713 . . . . 10.0 111.214 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.318 -0.848 . . . . 10.0 111.03 179.797 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.76 0.314 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.0 137.46 32.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 22.9 p -99.4 119.26 60.74 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.002 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.73 144.16 64.54 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.748 2.299 . . . . 10.0 112.21 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -71.79 111.47 7.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.585 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -93.6 113.42 25.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.537 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.23 139.94 7.14 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.692 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -47.33 72.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.631 0.253 . . . . 10.0 111.645 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.512 ' H ' HD22 ' D' ' 9' ' ' LEU . 1.5 pt? -71.8 -31.27 66.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.511 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -72.55 -32.08 65.79 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.847 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.87 -39.76 83.69 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.45 -38.84 83.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.527 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 43.2 m -67.79 -39.4 84.04 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.574 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.87 62.48 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.331 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -66.78 -39.7 87.91 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.571 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . 0.415 ' O ' HG23 ' D' ' 20' ' ' VAL . 23.7 m-85 -75.97 -31.9 59.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.764 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.14 -39.51 94.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.747 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.3 m -74.77 -30.79 61.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.27 -52.15 18.95 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.905 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . 0.415 HG23 ' O ' ' D' ' 16' ' ' PHE . 29.0 m -99.47 32.28 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.822 0.344 . . . . 10.0 111.888 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.31 -53.73 54.88 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.632 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -85.24 -8.96 58.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.466 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -71.39 -30.27 65.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.975 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -62.1 -41.08 97.84 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.051 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 61.2 p -73.58 -26.64 60.91 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.933 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -73.83 -30.4 62.67 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.28 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.34 -41.97 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.777 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -72.09 -28.27 63.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.545 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -39.54 66.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.952 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.14 -25.99 52.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.464 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 tp -71.61 -41.95 68.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.774 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.13 -31.01 67.2 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.433 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -69.48 -38.53 77.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.368 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.75 -25.5 61.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.96 -0.563 . . . . 10.0 111.384 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.06 -48.02 71.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.42 20.86 8.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.748 1.018 . . . . 10.0 113.748 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -138.82 100.51 8.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . 0.645 ' HG2' ' CH2' ' A' ' 5' ' ' TRP . 73.5 Cg_exo -52.58 -76.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.08 2.52 . . . . 10.0 113.767 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -103.67 124.45 48.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.664 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.1 OUTLIER -136.57 119.89 12.13 Favored Pre-proline 0 N--CA 1.448 -0.549 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.637 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 34.5 Cg_endo -66.88 -44.04 6.06 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.201 1.934 . . . . 10.0 110.424 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.503 ' HA ' ' NH1' ' C' ' 58' ' ' ARG . . . -77.75 -56.82 4.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.698 -1.137 . . . . 10.0 113.876 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.4 -39.91 95.79 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.915 1.08 . . . . 10.0 113.915 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -69.78 -38.39 76.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . 0.491 ' HB3' HD13 ' A' ' 75' ' ' ILE . . . -73.69 -36.38 65.27 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.801 0.334 . . . . 10.0 111.216 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.56 82.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.895 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -69.91 -32.14 70.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.147 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . 0.526 HE22 ' HA ' ' C' ' 62' ' ' SER . 13.1 tt0 -57.8 -47.48 82.45 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.829 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -74.54 -38.62 62.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 10.0 112.114 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -71.87 -29.01 63.92 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tt -74.62 -37.17 62.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.535 0.207 . . . . 10.0 110.53 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 95.2 p -70.07 -28.04 65.11 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.97 -36.97 80.95 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -72.03 -31.38 66.12 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.526 -0.916 . . . . 10.0 108.526 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.85 -39.18 90.95 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.49 -1.232 . . . . 10.0 110.542 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' D' ' 56' ' ' LEU . 0.8 OUTLIER -75.2 -29.58 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.272 0.841 . . . . 10.0 113.272 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -63.2 -41.69 99.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.12 0.486 . . . . 10.0 110.328 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.23 -33.9 37.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.391 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -76.49 -48.14 20.53 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.31 -36.73 83.07 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.614 0.227 . . . . 10.0 111.614 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.32 -41.84 84.63 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.748 0.308 . . . . 10.0 110.684 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 99.2 p -71.51 -24.7 62.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.769 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.45 -39.93 51.96 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.507 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -68.53 -37.96 80.44 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.76 -28.05 26.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.06 0.457 . . . . 10.0 110.197 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . 0.498 ' HB2' ' HZ1' ' D' ' 66' ' ' LYS . 0.1 OUTLIER -69.96 -47.91 60.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.452 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 40.2 t -69.3 -43.31 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.828 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.07 -46.36 81.49 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.817 0.673 . . . . 10.0 112.817 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -65.18 -35.36 80.83 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -50.97 65.7 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.252 0.464 . . . . 10.0 112.252 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 pt -71.02 -30.3 40.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.627 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.13 -32.28 66.79 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.639 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.36 -34.04 76.47 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.585 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.72 80.6 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.905 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 54.8 mt -69.5 -41.65 80.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.856 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.25 -34.92 72.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.752 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.38 -27.07 65.0 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.861 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -69.08 -35.8 76.9 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.695 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -72.21 94.59 1.58 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.63 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.217 -0.897 . . . . 10.0 110.831 -179.463 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.802 0.334 . . . . 10.0 111.43 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.1 142.64 32.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m -93.84 120.4 65.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.36 146.42 56.41 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.718 2.279 . . . . 10.0 111.992 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.409 ' HH2' ' HZ1' ' B' ' 50' ' ' LYS . 80.7 t90 -71.53 110.8 6.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.168 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -147.44 138.45 23.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.29 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.27 169.3 22.26 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.077 -0.809 . . . . 10.0 111.077 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -66.91 -32.35 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.007 0.403 . . . . 10.0 111.592 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.76 -33.33 62.28 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.971 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -72.49 -28.6 63.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.26 -39.93 71.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.473 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG11 HG21 ' A' ' 64' ' ' THR . 73.3 t -69.32 -35.43 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.501 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 m -66.83 -47.76 71.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.034 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -22.99 63.9 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.462 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -64.77 -48.53 74.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.129 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -77.44 -27.97 52.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.656 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -63.5 -50.65 68.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 m -71.95 -23.3 61.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.128 0.489 . . . . 10.0 109.876 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.73 -49.38 43.35 Favored Glycine 0 C--N 1.335 0.503 0 CA-C-N 115.545 -0.752 . . . . 10.0 113.068 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -111.42 32.12 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -59.12 -47.58 84.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.76 0.314 . . . . 10.0 111.693 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -94.18 2.62 55.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.962 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' O ' HG22 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -69.2 -40.97 77.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.249 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -58.81 -36.2 74.1 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.104 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -72.93 -27.94 62.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.682 0.277 . . . . 10.0 110.824 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.59 -27.17 60.36 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.765 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 23' ' ' LEU . 46.2 t -68.74 -46.33 79.75 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.365 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -71.37 -25.37 62.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.919 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.27 -44.23 59.66 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.04 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.06 -25.71 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.262 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.84 -35.93 67.34 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.722 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.12 -39.8 82.65 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.945 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -25.75 62.57 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.2 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -31.42 63.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.199 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.97 -28.57 63.52 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.79 8.1 45.34 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.806 0.298 . . . . 10.0 111.806 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -124.6 135.88 27.16 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.563 -0.289 . . . . 10.0 111.773 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.23 -68.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.915 2.41 . . . . 10.0 111.903 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -142.18 124.21 15.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.899 0.381 . . . . 10.0 111.232 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.91 117.34 9.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.666 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.66 -33.01 56.74 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.637 2.224 . . . . 10.0 112.856 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.07 -46.97 31.17 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.29 -22.2 61.24 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.9 tp -74.15 -38.51 63.7 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.804 0.335 . . . . 10.0 110.149 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -32.8 63.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.655 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.91 -42.01 70.47 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.974 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -72.3 -33.65 67.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.859 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -41.65 91.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.129 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 48.9 m -75.3 -45.6 38.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.72 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.18 -33.11 75.23 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.101 0.778 . . . . 10.0 113.101 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 tp -73.47 -33.3 64.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.026 0.441 . . . . 10.0 110.003 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.3 m -73.84 -33.53 64.15 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.009 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 49' ' ' SER . 42.8 mt-10 -65.37 -37.43 87.01 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.182 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -68.24 -34.12 75.65 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.072 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.7 -44.64 73.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.551 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.0 -31.18 68.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.908 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -46.33 65.17 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.609 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.44 HH22 ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -67.67 -37.06 81.83 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.359 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 91.9 m-20 -71.49 -26.95 62.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.278 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.21 -32.61 63.1 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.892 0.377 . . . . 10.0 110.579 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -71.74 -47.06 56.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.884 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.44 ' HB3' HH22 ' A' ' 58' ' ' ARG . 26.7 p -71.12 -22.3 62.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.811 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 1.6 t-20 -76.44 -45.59 30.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.471 HG21 HG11 ' A' ' 12' ' ' VAL . 30.0 p -66.95 -37.81 84.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.893 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.06 -40.89 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.749 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -68.59 -48.41 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.353 0.871 . . . . 10.0 113.353 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 71' ' ' ILE . 24.4 t -68.22 -46.29 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 111.839 0.311 . . . . 10.0 111.839 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.673 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 84.7 t80 -60.63 -35.02 75.14 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.28 0.363 . . . . 10.0 111.845 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -35.47 74.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.647 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -69.92 -32.45 70.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.536 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -67.46 -54.87 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 CA-C-O 121.112 0.482 . . . . 10.0 110.133 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.76 -29.95 68.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.898 -1.046 . . . . 10.0 113.255 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.35 -27.69 47.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.656 0.265 . . . . 10.0 111.443 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.0 -39.91 65.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.551 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -74.07 -38.28 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.275 0.559 . . . . 10.0 110.618 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.956 HD13 HD21 ' D' ' 44' ' ' LEU . 0.1 OUTLIER -63.53 -36.48 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.176 -0.92 . . . . 10.0 111.686 -179.375 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -84.41 -20.58 31.63 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.765 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.41 -17.41 60.19 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.524 ' CZ ' HD22 ' D' ' 51' ' ' LEU . 7.1 t80 -88.3 123.23 32.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.124 -0.943 . . . . 10.0 108.844 177.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.041 -0.98 . . . . 10.0 111.609 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.72 0.295 . . . . 10.0 111.045 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.1 147.1 24.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 18.7 m -97.08 117.0 66.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.674 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.83 139.72 53.01 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.812 2.341 . . . . 10.0 112.327 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -74.4 112.01 10.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -160.25 125.57 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.216 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.67 -179.68 19.09 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.943 -0.646 . . . . 10.0 111.927 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . 0.507 ' O ' HG22 ' B' ' 12' ' ' VAL . 62.4 m-85 -67.0 -36.14 81.51 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.794 0.294 . . . . 10.0 111.794 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -34.74 63.53 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.015 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -71.88 -28.11 63.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.297 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -70.06 -41.45 74.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.943 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.507 HG22 ' O ' ' B' ' 8' ' ' TYR . 34.4 t -65.09 -36.2 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.974 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -64.28 -53.59 46.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.137 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 -23.01 64.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.216 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' D' ' 32' ' ' ASP . 3.2 tptt -62.88 -54.07 44.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.615 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -73.61 -27.89 61.52 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.587 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -62.05 -52.84 62.33 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.804 1.039 . . . . 10.0 113.804 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -65.69 -23.14 66.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.222 0.534 . . . . 10.0 110.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.6 -52.77 11.36 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 115.484 -0.78 . . . . 10.0 114.851 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 6.8 m -108.86 31.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 111.878 0.325 . . . . 10.0 111.878 -178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.95 -48.18 82.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.956 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -92.28 -0.21 57.41 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.297 0.48 . . . . 10.0 112.297 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.502 ' O ' HG22 ' B' ' 27' ' ' VAL . 31.3 tp -70.03 -29.67 66.77 Favored 'General case' 0 C--O 1.228 -0.071 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.943 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.61 -35.74 81.69 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.976 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.4 p -72.71 -26.63 61.66 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.261 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.42 -26.91 60.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.753 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.502 HG22 ' O ' ' B' ' 23' ' ' LEU . 29.0 t -69.92 -45.73 75.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.358 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 32.6 p -70.84 -27.96 64.24 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.75 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.57 -43.17 63.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.035 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.13 -26.32 61.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -73.04 -36.29 66.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.822 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.84 -39.46 79.93 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.815 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -27.65 63.61 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.152 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 66.0 tp -74.36 -33.6 63.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.011 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.77 59.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.603 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.67 5.92 43.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.507 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -124.69 139.62 33.69 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.305 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.27 -56.59 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.854 2.369 . . . . 10.0 111.806 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.97 126.28 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.097 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.18 107.49 9.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.2 -34.85 43.97 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.457 2.104 . . . . 10.0 112.05 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.24 -46.19 35.34 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.991 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.48 -21.06 61.27 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.2 tp -71.85 -40.07 69.27 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.918 0.39 . . . . 10.0 110.147 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.96 -31.78 63.17 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.26 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.8 67.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.813 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -70.48 -33.53 71.34 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.644 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -64.99 -39.14 93.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.42 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 45.9 m -70.57 -47.83 58.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.044 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.409 ' HZ1' ' HH2' ' A' ' 5' ' ' TRP . 57.0 mmtt -66.72 -39.09 87.86 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.89 -44.87 79.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.151 0.5 . . . . 10.0 110.745 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.512 ' O ' HD23 ' B' ' 56' ' ' LEU . 46.4 m -71.5 -30.01 65.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.545 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -63.47 -37.03 85.72 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.981 0.419 . . . . 10.0 110.177 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -67.39 -31.79 72.24 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.169 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.41 -34.88 70.74 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.3 -0.863 . . . . 10.0 110.672 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.512 HD23 ' O ' ' B' ' 52' ' ' SER . 0.0 OUTLIER -70.38 -34.28 72.4 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.897 0.38 . . . . 10.0 110.646 179.758 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -47.75 39.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.006 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -39.49 94.82 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.107 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -71.59 -33.59 69.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.58 85.54 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.873 0.368 . . . . 10.0 110.411 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -66.44 -43.73 84.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.766 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 66.8 p -71.79 -29.41 64.44 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.965 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -73.7 -41.76 62.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.814 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 41.3 p -69.31 -41.79 76.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 m -72.51 -27.91 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 N-CA-C 112.902 0.704 . . . . 10.0 112.902 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -75.42 -47.57 26.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.674 0.25 . . . . 10.0 111.674 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.601 ' O ' HG13 ' B' ' 71' ' ' ILE . 38.1 t -66.33 -50.64 66.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.736 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . 0.638 ' HA ' HD13 ' B' ' 71' ' ' ILE . 52.8 t80 -57.78 -35.56 70.96 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 24.1 mmtm -69.07 -35.12 76.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.649 -0.25 . . . . 10.0 111.615 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.48 -29.61 59.63 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.056 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.638 HD13 ' HA ' ' B' ' 68' ' ' PHE . 57.2 mt -66.64 -52.95 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.126 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.13 -29.18 68.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.213 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.43 70.54 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.72 0.295 . . . . 10.0 110.754 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.18 -33.24 67.52 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.722 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.563 HG12 ' NH1' ' D' ' 58' ' ' ARG . 8.1 mt -70.67 -39.94 76.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.676 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.7 -38.63 76.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.262 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -76.39 -24.27 54.08 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.556 HD21 ' HB2' ' D' ' 62' ' ' SER . 5.8 m-20 -82.44 -20.29 37.25 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.368 . . . . 10.0 110.849 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -90.86 118.35 30.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.583 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.246 -0.883 . . . . 10.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 19.6 mmt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.734 0.302 . . . . 10.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.06 146.32 29.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.368 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 15.8 m -107.56 116.74 57.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.672 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.69 160.39 43.94 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.825 2.35 . . . . 10.0 112.491 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -76.92 110.95 11.95 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -145.98 137.68 24.99 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.656 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.97 177.91 19.87 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.84 -0.695 . . . . 10.0 112.076 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -67.29 -33.12 74.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.712 0.292 . . . . 10.0 111.452 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -34.4 62.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.894 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -72.16 -30.01 64.59 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.404 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.45 -39.18 71.16 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.81 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 84.9 t -71.3 -37.32 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.95 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 68.5 m -66.18 -48.67 69.94 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.029 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.01 65.57 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.678 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -66.02 -45.77 80.29 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.567 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . 0.441 ' O ' HG23 ' C' ' 20' ' ' VAL . 36.5 m-85 -77.75 -28.94 50.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.862 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -64.88 -43.14 93.9 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.328 0.492 . . . . 10.0 112.328 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -77.13 -25.1 51.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.352 . . . . 10.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.57 -42.45 55.16 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.042 -0.599 . . . . 10.0 112.961 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 16' ' ' PHE . 34.8 m -110.33 30.55 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.25 -49.49 77.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.322 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -97.72 4.09 50.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.588 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.29 -39.85 74.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.52 -34.48 75.6 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.827 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 42.6 p -73.08 -27.34 61.66 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.579 -0.282 . . . . 10.0 110.715 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -75.85 -25.43 56.2 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.642 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 64.2 t -69.42 -46.68 75.86 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.051 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.396 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 24.7 p -70.68 -25.46 62.99 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.342 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.63 -44.83 61.4 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.229 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.46 60.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.96 0.41 . . . . 10.0 110.774 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . 0.56 HD12 ' HH ' ' C' ' 47' ' ' TYR . 60.3 tp -72.83 -36.88 67.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.812 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.63 -34.1 73.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.16 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 0.1 OUTLIER -70.77 -41.65 71.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.312 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -26.38 62.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.359 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.5 -35.12 69.81 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.526 0.565 . . . . 10.0 112.526 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.39 24.49 8.66 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 0.2 OUTLIER -115.13 127.86 26.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.0 178.607 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.21 -74.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.452 2.768 . . . . 10.0 113.897 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 58.4 m -147.92 125.81 11.98 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.476 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . 0.571 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 1.9 m-20 -133.02 110.05 12.92 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.753 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -64.24 -34.54 55.87 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.248 1.966 . . . . 10.0 111.503 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -43.05 52.28 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.752 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.8 mm? -72.38 -24.09 61.21 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 35.3 tp -72.82 -38.73 67.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.853 0.359 . . . . 10.0 110.583 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.85 -32.57 63.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.762 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.78 -36.86 65.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.331 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . 0.56 ' HH ' HD12 ' C' ' 31' ' ' LEU . 68.0 t80 -72.53 -40.63 66.6 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -68.24 -33.05 73.69 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 68.7 m -76.52 -42.8 41.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.3 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.96 -31.57 69.36 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 51.3 tp -75.21 -34.17 61.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.328 . . . . 10.0 110.606 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 69.6 m -73.38 -31.09 63.71 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.95 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -63.2 -36.22 82.9 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.624 -0.88 . . . . 10.0 108.624 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . 0.405 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 70.9 t80 -67.75 -38.23 83.19 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.547 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.83 -44.2 81.74 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.414 -0.812 . . . . 10.0 111.652 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -73.68 -38.43 64.91 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.2 0.815 . . . . 10.0 113.2 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -43.06 91.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.184 0.516 . . . . 10.0 110.376 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.414 HH11 ' HB3' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -70.61 -45.26 65.59 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.393 -0.821 . . . . 10.0 111.911 -178.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' C' ' 63' ' ' ASN . 79.3 m-20 -65.06 -23.16 67.1 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.588 0.232 . . . . 10.0 111.193 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.3 58.55 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.285 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . 0.52 ' O ' HG22 ' C' ' 65' ' ' VAL . 18.5 mm-40 -67.59 -50.2 59.43 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.426 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 11.0 p -67.74 -26.37 66.1 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.214 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' C' ' 59' ' ' ASN . 1.4 t-20 -72.25 -50.27 28.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.768 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 28.8 p -63.33 -37.27 86.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.648 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . 0.612 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 71.9 t -61.52 -62.6 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.873 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -43.9 79.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 114.472 1.286 . . . . 10.0 114.472 -178.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.02 -46.02 97.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.265 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -68.61 -34.61 76.07 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.502 -0.317 . . . . 10.0 111.733 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 11.3 mmpt? -70.75 -35.47 72.67 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.508 0.194 . . . . 10.0 111.333 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -71.22 -32.66 69.07 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.58 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 98.4 mt -70.44 -46.45 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.143 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -30.46 70.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.327 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.99 -27.8 49.12 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.471 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.13 -40.26 62.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.867 0.365 . . . . 10.0 110.897 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 57.2 mt -74.64 -33.93 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.677 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 3.3 tp -70.0 -32.32 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.031 -0.531 . . . . 10.0 112.248 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -83.54 -21.28 32.75 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.844 0.354 . . . . 10.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -78.99 -21.89 46.37 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.114 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -91.97 117.12 29.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.775 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.25 -0.881 . . . . 10.0 111.132 -179.823 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.774 0.321 . . . . 10.0 111.087 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.3 146.56 24.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.187 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 19.0 m -96.6 116.43 66.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.627 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.69 143.66 62.82 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.723 2.282 . . . . 10.0 112.16 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -72.76 111.11 7.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.549 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -147.93 137.04 22.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.021 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.7 170.58 19.89 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.983 -0.627 . . . . 10.0 111.766 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -66.94 -36.53 82.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.665 0.269 . . . . 10.0 111.521 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -74.81 -32.45 61.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.943 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.41 -29.37 63.67 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -70.78 -43.95 67.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.66 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 65.3 t -63.15 -37.89 80.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.846 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -66.95 -43.92 81.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.022 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.59 67.67 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.325 -0.398 . . . . 10.0 112.053 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -67.94 -42.35 81.1 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.753 0.311 . . . . 10.0 111.162 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -78.16 -33.86 50.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.798 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -64.9 -50.55 66.08 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.195 0.442 . . . . 10.0 112.195 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.5 m -77.95 -23.65 48.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.923 0.392 . . . . 10.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.08 -50.57 39.2 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.927 -0.579 . . . . 10.0 113.327 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.59 33.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.97 0.414 . . . . 10.0 111.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.37 -40.15 85.58 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.679 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -91.55 -0.48 57.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.845 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 14.7 tp -70.49 -33.75 71.58 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.661 -0.245 . . . . 10.0 110.856 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.7 -36.38 83.46 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.651 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 61.5 p -73.12 -26.82 61.37 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.759 0.314 . . . . 10.0 110.797 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -75.22 -27.87 59.71 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.213 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.8 t -72.4 -41.95 64.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.611 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.1 p -71.52 -24.89 62.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.565 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.23 -46.72 48.63 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.653 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.06 -30.72 68.05 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.944 0.402 . . . . 10.0 110.932 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.444 HD11 HG23 ' B' ' 12' ' ' VAL . 26.5 tp -68.36 -36.34 79.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . 0.493 ' HA ' ' HE2' ' B' ' 15' ' ' LYS . 32.1 t70 -70.03 -36.36 74.98 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.651 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -25.53 62.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.468 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.29 -24.1 66.49 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.696 0.999 . . . . 10.0 113.696 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.88 -55.65 16.05 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.71 22.87 12.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.273 0.842 . . . . 10.0 113.273 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . 0.418 ' HB3' ' OD2' ' D' ' 40' ' ' ASP . 15.5 mmtp -126.28 100.43 29.56 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 114.927 -1.033 . . . . 10.0 108.599 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -62.06 -74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.479 2.786 . . . . 10.0 113.46 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -120.35 123.88 44.17 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.709 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 6.6 m-20 -138.6 135.63 18.15 Favored Pre-proline 0 C--O 1.22 -0.483 0 N-CA-C 114.03 1.122 . . . . 10.0 114.03 -177.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.673 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 49.3 Cg_endo -71.4 -46.14 0.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.994 2.463 . . . . 10.0 111.313 176.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.24 -53.42 7.34 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-N 115.098 -0.955 . . . . 10.0 113.201 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.01 -29.63 67.39 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.956 HD21 HD13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -79.28 -33.97 42.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.923 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.66 -45.64 71.22 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.502 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.24 91.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.953 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -71.24 -33.98 70.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.985 0.365 . . . . 10.0 111.985 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -45.43 82.04 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 10.0 111.366 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 28.5 m -76.41 -40.6 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -68.37 -32.51 72.65 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . 0.524 HD22 ' CZ ' ' A' ' 79' ' ' PHE . 13.0 tp -73.76 -35.37 64.99 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.981 -0.288 . . . . 10.0 110.622 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 55.0 m -74.3 -29.86 61.82 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.464 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -68.24 -36.95 80.27 Favored 'General case' 0 N--CA 1.46 0.053 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -69.91 -31.37 69.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.987 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -64.77 -55.09 21.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.357 -0.838 . . . . 10.0 112.459 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.28 -27.22 63.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.206 0.817 . . . . 10.0 113.206 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -44.99 95.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 10.0 109.875 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . 0.616 HH22 ' HB3' ' D' ' 62' ' ' SER . 0.0 OUTLIER -75.58 -39.33 58.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.796 -179.549 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -67.05 -29.5 69.32 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.789 0.292 . . . . 10.0 111.789 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.13 -30.17 55.03 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.544 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -69.44 -48.52 60.63 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.887 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 62' ' ' SER . . . . . 0.616 ' HB3' HH22 ' D' ' 58' ' ' ARG . 39.1 p -71.32 -20.12 62.23 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.728 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -76.25 -47.03 25.32 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.279 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -64.25 -37.94 89.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.693 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 60.1 t -69.43 -34.2 61.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.475 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -70.11 -47.57 61.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.871 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 43.6 t -70.19 -48.7 60.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.43 -36.52 76.05 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -35.27 67.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.591 0.219 . . . . 10.0 111.591 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -68.2 -39.84 82.32 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 24.1 pt -73.53 -35.02 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.3 -33.7 69.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.959 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.4 -25.12 54.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.068 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.12 -36.72 69.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.908 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 56.4 mt -74.62 -34.19 34.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 mp -68.83 -36.03 72.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.816 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -81.16 -20.88 40.32 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -82.78 -19.55 37.56 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.929 0.395 . . . . 10.0 110.856 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -83.84 124.52 31.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.115 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.203 -0.904 . . . . 10.0 111.019 179.692 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.855 0.359 . . . . 10.0 111.147 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.1 148.34 37.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.089 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -106.7 115.13 61.03 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.9 155.64 53.11 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.693 2.262 . . . . 10.0 112.358 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.6 t90 -68.39 116.77 9.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -110.33 152.57 26.05 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.93 143.37 8.88 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.703 -0.76 . . . . 10.0 113.737 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -67.4 -33.05 74.38 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.869 0.366 . . . . 10.0 110.797 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.586 ' H ' HD22 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -65.23 -38.36 90.13 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.879 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -73.03 -28.58 62.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.907 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.64 -36.64 78.88 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.539 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 t -71.38 -37.13 63.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 120.857 0.36 . . . . 10.0 110.635 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -67.47 -42.3 83.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.497 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.51 -22.88 62.58 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.912 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -63.28 -49.32 74.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.569 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -67.48 -31.68 71.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.941 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.99 -38.42 90.9 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 m -58.62 -36.9 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 10.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.58 -37.18 35.87 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.087 -0.578 . . . . 10.0 113.172 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.7 m -98.36 26.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.25 -56.1 25.69 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.861 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -86.29 -8.17 57.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.274 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.44 HD11 ' HD2' ' A' ' 50' ' ' LYS . 56.9 tp -70.94 -39.2 72.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.418 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -66.43 -30.37 70.72 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.904 0.383 . . . . 10.0 110.857 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -72.86 -28.43 62.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.989 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -76.98 -24.5 52.26 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.184 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 23' ' ' LEU . 48.7 t -71.09 -45.51 71.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.112 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -72.84 -29.07 62.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.425 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -37.19 65.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.763 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.04 -24.56 52.03 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.745 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.6 tp -71.23 -44.86 64.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.374 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.97 -32.21 69.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.689 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.543 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -70.32 -38.44 74.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.174 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -26.26 62.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.208 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.59 -22.68 61.69 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.661 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.1 10.78 25.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.196 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -124.64 123.32 25.71 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.392 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.54 -68.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.929 2.42 . . . . 10.0 111.726 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 m -129.84 123.08 29.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.082 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.62 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -138.27 103.58 7.98 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.402 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -63.92 -39.25 33.83 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.366 2.044 . . . . 10.0 112.09 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.56 -42.7 51.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.207 -0.452 . . . . 10.0 112.105 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.62 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 3.3 mm? -70.56 -26.09 63.38 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.239 0.459 . . . . 10.0 112.239 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 tp -77.19 -32.6 56.19 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.681 0.277 . . . . 10.0 110.645 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.06 -37.61 78.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.898 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.44 -38.03 65.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.583 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -66.62 -42.61 86.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.45 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -68.01 -37.88 81.93 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.219 0.452 . . . . 10.0 112.219 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t -73.16 -41.63 63.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.481 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HD2' HD11 ' A' ' 23' ' ' LEU . 74.2 mmtt -74.23 -24.89 59.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.379 0.511 . . . . 10.0 112.379 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 tp -73.91 -38.27 64.38 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.889 0.376 . . . . 10.0 110.155 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.3 p -72.6 -29.48 63.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.506 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.23 -36.11 78.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.913 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.1 -34.35 77.86 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.937 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -64.9 -37.96 89.38 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.089 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.4 -30.96 67.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.558 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.89 -50.76 46.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.901 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.403 HH12 ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -69.73 -36.94 76.29 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.031 0.382 . . . . 10.0 112.031 -179.192 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.42 -37.75 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.94 76.08 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.688 0.28 . . . . 10.0 111.257 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -69.87 -43.74 71.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.301 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.403 ' HB3' HH12 ' A' ' 58' ' ' ARG . 77.0 p -71.03 -25.26 62.58 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.71 -41.3 45.76 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 p -70.25 -36.68 74.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.951 0.352 . . . . 10.0 111.951 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.74 -28.63 27.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -74.98 -47.94 26.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.822 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.5 t -64.18 -50.07 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 111.883 0.327 . . . . 10.0 111.883 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' D' ' 41' ' ' PRO . 5.8 m-85 -55.83 -34.72 65.65 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.429 0.456 . . . . 10.0 112.143 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.487 ' HE3' ' OG ' ' D' ' 39' ' ' SER . 0.1 OUTLIER -68.86 -40.64 79.19 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.578 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -66.49 -35.2 79.67 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.546 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.585 HG23 HD11 ' A' ' 75' ' ' ILE . 36.7 mt -60.5 -55.22 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.27 -33.63 73.87 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.18 -0.918 . . . . 10.0 112.789 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.45 74.87 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.9 -46.76 33.77 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.585 HD11 HG23 ' A' ' 71' ' ' ILE . 26.3 mt -59.98 -50.98 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.594 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.501 ' CD1' HD21 ' D' ' 44' ' ' LEU . 4.4 mm -57.14 -38.54 61.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -58.12 -32.13 67.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.995 -0.548 . . . . 10.0 112.128 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -91.19 -25.24 19.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.505 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.566 ' HA ' ' NE2' ' D' ' 48' ' ' GLN . 0.0 OUTLIER -73.86 154.96 39.24 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.59 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.908 ' HD3' HD12 ' D' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 C-N-CA 120.347 -0.541 . . . . 10.0 109.656 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.797 0.332 . . . . 10.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.1 143.26 45.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.915 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 23.4 m -106.34 111.67 64.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.12 154.01 57.22 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.632 2.221 . . . . 10.0 112.045 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -69.53 117.86 11.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -108.87 152.27 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.241 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.47 141.06 7.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.639 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -66.91 -36.49 82.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.708 0.29 . . . . 10.0 111.706 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -36.4 78.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.203 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.82 -27.52 62.97 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.883 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.73 -40.09 76.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.549 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.713 HG11 HG21 ' B' ' 64' ' ' THR . 7.4 t -67.14 -35.58 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.991 0.424 . . . . 10.0 110.871 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -69.78 -32.34 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.169 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -37.05 71.9 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.613 -0.721 . . . . 10.0 112.5 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.496 ' HZ1' ' HB3' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -68.48 -34.84 76.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.416 0.524 . . . . 10.0 112.416 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.45 -39.04 88.63 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.17 -0.923 . . . . 10.0 113.264 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 15.7 m -54.71 -35.76 64.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.921 0.391 . . . . 10.0 111.303 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.58 -45.98 12.6 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.975 -0.631 . . . . 10.0 113.521 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 35.7 m -94.6 29.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.94 0.4 . . . . 10.0 111.247 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.43 -54.44 43.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.939 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -84.78 -9.87 57.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.086 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.423 ' O ' HG22 ' B' ' 27' ' ' VAL . 37.2 tp -71.03 -34.7 71.54 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.204 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.04 -33.0 73.76 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.969 0.414 . . . . 10.0 110.795 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -72.67 -27.11 61.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.074 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -77.11 -25.95 52.73 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.217 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 23' ' ' LEU . 61.7 t -71.85 -43.69 68.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.881 0.372 . . . . 10.0 110.083 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 23.8 p -73.37 -27.71 61.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.058 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.94 -36.05 62.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.108 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.42 51.63 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.974 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.5 tp -71.7 -44.83 63.52 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.157 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.83 -31.75 68.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.485 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.539 ' HZ3' ' HB2' ' B' ' 33' ' ' LYS . 0.4 OUTLIER -71.06 -36.51 72.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.093 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -28.17 64.19 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.56 -17.63 60.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.195 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.83 6.22 29.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.3 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -121.96 130.9 24.54 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.158 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.58 -63.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.75 2.3 . . . . 10.0 111.128 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.7 m -142.77 123.72 14.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.883 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.602 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 0.3 OUTLIER -137.35 103.22 8.73 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.46 -179.733 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.04 -35.86 51.69 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.461 2.107 . . . . 10.0 112.03 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.59 -42.22 59.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.447 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.602 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.5 mm? -72.53 -22.91 60.95 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.668 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 tp -79.08 -35.76 41.9 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.665 0.269 . . . . 10.0 110.406 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.79 80.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.056 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.49 64.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.825 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -71.96 -42.4 66.62 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.191 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -68.37 -35.64 78.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.719 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 46.6 t -72.11 -42.39 66.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.206 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -79.69 -18.97 50.07 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.897 0.703 . . . . 10.0 112.897 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 45.5 tp -74.04 -40.15 63.04 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.424 -0.954 . . . . 10.0 108.424 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.6 p -74.03 -27.67 61.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.883 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.569 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 32.6 mt-10 -66.89 -36.65 82.77 Favored 'General case' 0 N--CA 1.461 0.08 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.658 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.8 -32.16 73.53 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -68.63 -36.02 78.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.193 -0.912 . . . . 10.0 110.75 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' B' ' 53' ' ' GLU . 3.8 pp -72.6 -28.59 62.88 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.638 -0.425 . . . . 10.0 111.271 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -55.63 5.99 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.995 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -38.02 89.56 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.073 0.397 . . . . 10.0 112.073 -178.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -76.85 -18.92 58.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.836 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.67 -53.48 11.64 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -58.86 -32.42 69.44 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.295 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 43.7 t -67.12 -43.14 83.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.057 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.483 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 81.0 m-20 -76.01 -31.09 58.74 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.713 HG21 HG11 ' B' ' 12' ' ' VAL . 2.2 m -64.27 -50.87 66.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.914 0.388 . . . . 10.0 111.256 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.01 -23.63 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.63 -0.713 . . . . 10.0 112.0 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -69.8 -50.92 38.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.014 0.746 . . . . 10.0 113.014 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -80.87 -34.14 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . 0.523 ' HA ' HD13 ' B' ' 71' ' ' ILE . 2.5 t80 -62.93 -32.43 73.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 10.0 110.013 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -73.2 -38.66 66.03 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.646 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.26 -34.62 76.53 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' B' ' 68' ' ' PHE . 48.8 mt -62.58 -43.42 98.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . 0.57 ' HA ' HD13 ' B' ' 75' ' ' ILE . 18.9 t70 -72.1 -24.08 61.43 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.331 -0.85 . . . . 10.0 112.169 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.93 98.99 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.861 0.363 . . . . 10.0 110.546 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.77 -37.0 79.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.228 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.57 HD13 ' HA ' ' B' ' 72' ' ' ASP . 95.7 mt -60.42 -51.09 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.313 -0.858 . . . . 10.0 111.828 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.19 -31.34 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -68.64 -32.54 72.48 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.832 0.308 . . . . 10.0 111.832 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -91.02 -21.04 21.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.874 0.368 . . . . 10.0 111.37 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.94 146.92 23.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.269 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.466 -0.778 . . . . 10.0 111.405 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.863 0.363 . . . . 10.0 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.52 147.47 41.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 23.4 m -106.51 115.72 60.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.092 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -74.5 162.7 37.6 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.766 2.311 . . . . 10.0 112.104 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -71.43 117.98 13.66 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.518 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -111.43 147.48 35.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.813 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.43 146.61 13.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.717 -0.754 . . . . 10.0 112.563 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -67.07 -31.33 71.76 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.927 0.343 . . . . 10.0 111.927 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.447 ' H ' HD22 ' C' ' 9' ' ' LEU . 0.6 OUTLIER -69.18 -35.1 75.92 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.383 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.23 -27.83 62.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.685 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -70.34 -38.53 74.86 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.545 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.91 -40.59 83.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.902 0.382 . . . . 10.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -64.56 -36.92 85.77 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.098 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.48 -23.41 61.03 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.127 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -62.65 -47.73 82.41 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.952 0.405 . . . . 10.0 110.192 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -70.19 -30.66 67.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.245 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -64.8 -38.5 91.21 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 10.6 m -60.45 -38.96 85.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.823 0.344 . . . . 10.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.15 -33.16 50.43 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.01 -0.615 . . . . 10.0 113.012 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 18.5 m -100.29 23.67 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.49 -55.96 28.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.636 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -89.21 -7.56 55.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.302 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' C' ' 50' ' ' LYS . 42.3 tp -70.9 -40.57 72.1 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -66.01 -29.55 69.94 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.861 0.362 . . . . 10.0 111.055 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.3 m -71.77 -30.74 65.88 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.7 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -75.8 -25.21 56.18 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.999 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 82.0 t -68.47 -47.11 78.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.321 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 23.7 p -72.91 -27.94 62.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.647 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.85 -39.11 64.23 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.096 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.83 -24.11 55.8 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.713 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . 0.406 HD12 ' HH ' ' C' ' 47' ' ' TYR . 48.0 tp -73.04 -44.23 61.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.499 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.87 -31.77 68.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.809 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . 0.464 ' HZ3' ' HB2' ' C' ' 33' ' ' LYS . 0.4 OUTLIER -68.52 -48.7 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.584 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.63 -25.69 65.86 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.495 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.78 66.0 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.92 23.76 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.771 0.656 . . . . 10.0 112.771 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -118.05 111.02 39.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.514 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.66 -65.19 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.204 2.602 . . . . 10.0 112.704 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -137.65 122.01 18.24 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.017 0.437 . . . . 10.0 110.907 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . 0.596 ' HB3' ' HB2' ' C' ' 43' ' ' LEU . 0.6 OUTLIER -139.14 101.75 7.58 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.665 179.467 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.31 -35.42 62.52 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.434 2.089 . . . . 10.0 112.114 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -40.9 57.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.539 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.596 ' HB2' ' HB3' ' C' ' 40' ' ' ASP . 3.8 mm? -72.36 -26.64 61.98 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.181 0.437 . . . . 10.0 112.181 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 tp -76.16 -34.26 59.38 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.66 0.267 . . . . 10.0 110.887 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.11 73.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.22 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.51 -33.67 64.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.855 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . 0.406 ' HH ' HD12 ' C' ' 31' ' ' LEU . 67.5 t80 -69.2 -44.11 72.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.481 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -69.33 -33.23 72.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.819 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 45.0 t -74.55 -42.03 59.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.508 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . 0.408 ' HD2' HD11 ' C' ' 23' ' ' LEU . 73.6 mmtt -75.09 -26.52 59.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.34 -37.71 63.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.702 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 94.3 p -70.24 -30.07 67.04 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.157 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.83 -35.97 79.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.771 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -64.23 -30.87 71.91 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.457 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -69.26 -42.51 75.47 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.214 -0.903 . . . . 10.0 111.616 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -29.52 64.16 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.727 0.64 . . . . 10.0 112.727 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -51.34 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 10.0 111.127 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.711 ' NH2' ' HA ' ' D' ' 45' ' ' ALA . 0.0 OUTLIER -70.37 -35.03 73.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.017 -178.324 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -69.98 -30.03 67.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.697 0.284 . . . . 10.0 110.657 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.51 73.44 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.307 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.82 -49.49 68.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.382 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' SER . . . . . 0.661 ' HB3' HH12 ' C' ' 58' ' ' ARG . 21.8 p -66.15 -25.84 67.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.661 0.267 . . . . 10.0 111.404 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -73.11 -50.43 22.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.161 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 19.9 p -65.98 -37.53 86.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.519 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . 0.533 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 25.2 t -61.72 -45.55 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.788 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -74.85 -43.1 56.31 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.1 0.778 . . . . 10.0 113.1 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.75 -56.4 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 112.188 0.44 . . . . 10.0 112.188 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -63.87 -24.52 67.77 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.704 0.288 . . . . 10.0 111.635 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' C' ' 65' ' ' VAL . 0.0 OUTLIER -72.73 -37.93 67.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 179.714 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -71.87 -38.23 70.07 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.845 0.355 . . . . 10.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.68 -47.66 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.15 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.91 -27.98 67.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.834 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.94 98.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.715 0.293 . . . . 10.0 111.314 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.09 62.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.23 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 86.7 mt -68.44 -52.82 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.048 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.8 pp -66.95 -26.1 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -70.92 -31.94 68.71 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.814 0.34 . . . . 10.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -92.2 -14.83 28.43 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.09 0.472 . . . . 10.0 110.188 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -85.74 141.91 29.37 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.001 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.586 -0.721 . . . . 10.0 110.928 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.74 0.305 . . . . 10.0 111.075 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.95 143.47 45.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.947 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m -106.4 111.53 64.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.792 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.38 154.98 60.8 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.629 2.219 . . . . 10.0 111.977 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -70.41 115.8 10.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.108 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -107.35 152.14 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.28 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.15 141.92 8.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.348 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.82 -33.35 75.42 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.431 ' H ' HD22 ' D' ' 9' ' ' LEU . 0.6 OUTLIER -68.31 -34.99 77.13 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.165 179.719 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.51 -28.42 62.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.027 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.42 -36.46 76.73 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.341 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.13 -42.4 81.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.742 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t -65.45 -43.2 91.13 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.058 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.0 64.19 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.671 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -68.09 -39.3 82.9 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.606 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -71.76 -33.43 68.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.274 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.82 -38.46 91.04 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.213 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -59.21 -37.55 77.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.293 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.69 -36.36 43.15 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.947 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 33.9 m -99.39 28.73 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 120.75 0.31 . . . . 10.0 111.751 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.92 -53.18 60.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.385 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -88.0 -7.87 56.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.293 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.02 -42.52 69.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.61 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -65.8 -29.82 70.36 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 5.0 m -73.62 -29.82 62.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.539 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -77.32 -24.79 50.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.155 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 96.5 t -73.44 -40.82 56.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.847 0.356 . . . . 10.0 110.11 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 18.7 p -75.96 -26.53 56.9 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.177 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -37.18 61.84 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.341 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.27 -23.83 51.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.255 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.64 -49.24 66.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.349 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.95 -31.27 67.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.063 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -36.21 76.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.402 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.423 HD21 HD13 ' D' ' 44' ' ' LEU . 0.2 OUTLIER -72.58 -26.3 61.66 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.994 0.426 . . . . 10.0 110.206 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.22 -25.67 68.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.652 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.48 24.67 9.78 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -143.69 109.2 5.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.659 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -73.79 -72.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.299 2.0 . . . . 10.0 111.796 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' SER . . . . . 0.487 ' OG ' ' HE3' ' A' ' 69' ' ' LYS . 9.6 m -83.38 123.32 29.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 8.7 m-20 -137.85 89.45 15.05 Favored Pre-proline 0 N--CA 1.452 -0.328 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.434 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 24.1 Cg_endo -65.83 -47.67 3.6 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 121.451 1.434 . . . . 10.0 111.608 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.01 -53.28 6.56 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.49 1.293 . . . . 10.0 114.49 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -33.49 70.19 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.9 OUTLIER -67.02 -29.47 69.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . 0.711 ' HA ' ' NH2' ' C' ' 58' ' ' ARG . . . -58.04 -39.35 78.17 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.499 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.57 -45.19 54.79 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.806 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -59.7 -49.94 75.79 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . 0.566 ' NE2' ' HA ' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -61.87 -46.03 91.17 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 22.6 t -72.88 -38.99 66.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -76.94 -23.17 52.42 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . 0.908 HD12 ' HD3' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -68.08 -51.11 50.24 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.424 -0.954 . . . . 10.0 108.424 177.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' SER . . . . . 0.446 ' N ' ' HG ' ' D' ' 51' ' ' LEU . 60.7 p -62.42 -30.33 71.15 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.771 -1.104 . . . . 10.0 110.998 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.77 -36.48 80.57 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.617 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.68 -33.2 74.59 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.311 -0.859 . . . . 10.0 109.854 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -60.58 -47.62 85.41 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.205 -0.907 . . . . 10.0 112.249 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' D' ' 56' ' ' LEU . 1.5 mm? -71.27 -28.01 63.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.565 0.95 . . . . 10.0 113.565 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -58.47 -50.95 71.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.829 0.347 . . . . 10.0 110.62 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -81.1 -36.39 30.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.434 0.901 . . . . 10.0 113.434 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.06 -51.49 31.58 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.62 -32.85 74.45 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.787 -0.188 . . . . 10.0 111.335 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -65.79 -44.63 85.18 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.596 0.236 . . . . 10.0 110.536 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 84.2 p -70.45 -25.84 63.37 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.952 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . 0.51 ' O ' HG22 ' D' ' 67' ' ' VAL . 94.5 m-20 -70.98 -48.18 54.7 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.823 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 35.8 p -64.73 -37.15 86.61 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.843 0.682 . . . . 10.0 112.843 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.27 -38.4 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.067 0.46 . . . . 10.0 110.065 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -68.77 -31.83 71.13 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.761 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . 0.51 HG22 ' O ' ' D' ' 63' ' ' ASN . 21.5 t -63.09 -57.9 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.832 0.349 . . . . 10.0 111.697 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . 0.468 ' HA ' HG23 ' D' ' 71' ' ' ILE . 72.6 m-85 -63.65 -27.41 69.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.729 -0.669 . . . . 10.0 112.711 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' D' ' 69' ' ' LYS . 24.6 mmtp -72.96 -38.12 66.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -77.22 -40.49 44.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.781 0.324 . . . . 10.0 111.358 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . 0.468 HG23 ' HA ' ' D' ' 68' ' ' PHE . 15.0 tt -65.15 -40.72 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.33 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.4 -24.8 60.33 Favored 'General case' 0 C--N 1.335 -0.036 0 CA-C-N 116.55 -0.295 . . . . 10.0 111.524 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.62 93.61 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.836 0.35 . . . . 10.0 110.855 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.97 -38.38 57.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.376 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.41 -48.96 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.68 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.76 -27.72 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.583 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -66.03 -33.77 76.57 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.765 0.317 . . . . 10.0 110.711 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -91.95 -18.58 23.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.889 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.49 146.5 26.91 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.315 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.204 -0.903 . . . . 10.0 111.364 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.742 0.306 . . . . 10.0 111.42 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.46 144.66 31.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 m -95.75 119.03 65.63 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.606 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.79 143.2 45.26 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.973 2.449 . . . . 10.0 113.26 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -73.31 111.03 8.06 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.895 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 p -157.32 142.79 17.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.989 0.423 . . . . 10.0 111.702 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.21 -171.93 28.98 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.71 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -67.45 -38.04 83.87 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 117.11 0.455 . . . . 10.0 110.897 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.71 -38.61 83.83 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.079 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -72.53 -31.53 65.39 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.941 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.03 -36.84 80.59 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG23 HD21 ' C' ' 31' ' ' LEU . 86.6 t -69.3 -41.23 80.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.29 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.7 m -67.08 -40.88 87.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.024 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.92 -24.46 59.68 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.957 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.702 ' HE3' ' HA ' ' C' ' 32' ' ' ASP . 15.7 tptp -67.36 -41.57 84.87 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.327 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.416 ' O ' HG23 ' A' ' 20' ' ' VAL . 34.6 m-85 -72.13 -32.0 66.52 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.026 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -65.46 -47.5 75.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.375 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -70.63 -23.55 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.909 0.385 . . . . 10.0 110.328 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.46 -36.26 62.9 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.925 -0.58 . . . . 10.0 112.778 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.466 ' HB ' HD11 ' A' ' 23' ' ' LEU . 35.2 m -119.86 31.01 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 111.807 0.299 . . . . 10.0 111.807 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -75.14 1.53 13.05 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -114.7 -40.79 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.817 0.303 . . . . 10.0 111.817 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.6 pp -69.74 -21.61 63.44 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 112.886 0.699 . . . . 10.0 112.886 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.8 -50.39 73.44 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.864 0.364 . . . . 10.0 110.97 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 t -70.99 -27.2 63.53 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.29 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -68.15 -28.93 67.72 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.173 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 23' ' ' LEU . 51.4 t -70.02 -46.47 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.943 0.401 . . . . 10.0 109.934 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -65.17 -41.43 94.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.381 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -65.88 -38.48 88.89 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.386 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.82 -24.5 60.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.217 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.434 HD12 ' HH ' ' A' ' 47' ' ' TYR . 32.6 tp -72.92 -39.76 66.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.545 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -70.42 -37.04 74.37 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.873 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -71.56 -28.31 63.76 Favored 'General case' 0 CA--C 1.527 0.09 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.302 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.43 -42.51 74.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.34 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.9 -16.17 60.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.153 -0.476 . . . . 10.0 112.09 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.26 0.46 43.18 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -124.45 130.77 24.2 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.545 -0.298 . . . . 10.0 111.333 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.81 -61.55 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.856 2.37 . . . . 10.0 111.58 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 p -133.66 124.78 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.126 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.489 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.4 99.3 9.72 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 -179.213 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.36 -39.02 31.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.438 2.092 . . . . 10.0 112.43 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.87 -42.84 57.14 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.195 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.8 mm? -71.61 -23.59 61.73 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.8 tp -74.74 -40.41 61.28 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.523 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.19 77.17 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.785 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.36 -41.79 66.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.751 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.434 ' HH ' HD12 ' A' ' 31' ' ' LEU . 29.9 t80 -67.47 -33.45 75.14 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.009 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.98 -48.97 79.35 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.08 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -71.64 -40.44 69.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.676 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -65.74 -35.32 80.4 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -72.91 -34.22 66.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.944 0.402 . . . . 10.0 110.515 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 m -73.8 -31.62 63.34 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.985 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -67.67 -36.85 81.48 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.867 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -68.34 -32.44 72.55 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -68.98 -43.32 75.14 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.499 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.1 -31.08 71.32 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.207 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -43.62 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.586 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -73.02 -31.49 64.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.108 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -72.61 -47.25 49.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.231 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.05 -31.22 71.6 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.373 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.552 ' O ' HG22 ' A' ' 65' ' ' VAL . 32.7 tt0 -72.31 -43.54 64.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -64.74 -28.63 69.72 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.62 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -73.65 -39.97 64.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.405 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.6 p -69.57 -37.56 77.03 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.482 0.549 . . . . 10.0 112.482 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 61' ' ' GLN . 24.8 t -68.15 -36.55 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.117 0.484 . . . . 10.0 110.401 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -70.46 -47.83 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.3 t -69.77 -46.55 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 114.269 1.211 . . . . 10.0 114.269 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.744 ' HE2' ' HB2' ' D' ' 39' ' ' SER . 79.2 t80 -57.36 -38.45 74.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.412 0.625 . . . . 10.0 110.544 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HB3' ' HE2' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -68.83 -35.07 76.51 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.195 -0.911 . . . . 10.0 110.723 178.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.88 -28.34 63.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.51 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 67' ' ' VAL . 24.2 mt -61.59 -56.67 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.609 0.718 . . . . 10.0 109.83 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.569 ' HA ' HD13 ' A' ' 75' ' ' ILE . 15.6 m-20 -65.24 -26.63 68.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.521 -1.218 . . . . 10.0 112.925 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.2 92.89 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.776 0.322 . . . . 10.0 111.022 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.64 75.46 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.181 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.569 HD13 ' HA ' ' A' ' 72' ' ' ASP . 14.9 mt -70.15 -35.39 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.469 0.652 . . . . 10.0 110.275 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.434 HD13 HD21 ' D' ' 44' ' ' LEU . 1.0 OUTLIER -62.43 -33.27 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.946 -1.025 . . . . 10.0 111.414 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -78.63 -32.1 47.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.468 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.488 ' OD1' ' HA ' ' A' ' 75' ' ' ILE . 1.9 p-10 -88.65 2.79 52.56 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.244 0.545 . . . . 10.0 109.933 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.713 ' HA ' HE21 ' D' ' 48' ' ' GLN . 2.4 t80 -56.65 -83.75 0.01 OUTLIER 'General case' 0 C--N 1.343 0.296 0 CA-C-N 114.731 -1.122 . . . . 10.0 109.573 177.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.255 -0.879 . . . . 10.0 111.098 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.711 0.291 . . . . 10.0 111.18 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.29 146.16 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 19.7 m -100.45 114.7 65.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.669 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.89 139.99 49.18 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.719 2.279 . . . . 10.0 112.25 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -69.88 110.45 5.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.57 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 11.5 m -137.81 152.43 49.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.868 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.13 177.14 48.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.165 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -67.14 -34.53 77.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 10.0 111.3 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.0 -39.02 72.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.303 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.63 -31.64 67.09 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.264 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.89 -36.94 81.1 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.348 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.405 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 86.9 t -67.81 -37.25 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.184 0.516 . . . . 10.0 110.25 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.3 m -70.01 -36.96 75.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.239 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.47 60.45 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.728 0.64 . . . . 10.0 112.728 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.795 ' HZ2' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -63.32 -40.05 96.25 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.795 0.331 . . . . 10.0 111.389 -179.785 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.464 ' O ' HG23 ' B' ' 20' ' ' VAL . 37.7 m-85 -75.63 -31.41 59.83 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.715 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.01 -52.5 59.24 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 112.797 0.665 . . . . 10.0 112.797 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -67.77 -22.47 65.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.356 0.598 . . . . 10.0 109.509 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.11 -44.75 53.39 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.168 -0.924 . . . . 10.0 115.179 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.568 HG13 HD21 ' B' ' 23' ' ' LEU . 22.7 m -115.44 29.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.153 0.501 . . . . 10.0 111.239 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.9 -19.19 63.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.487 -0.779 . . . . 10.0 111.912 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.6 -41.45 10.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.568 HD21 HG13 ' B' ' 20' ' ' VAL . 4.4 pp -68.71 -21.63 64.39 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 113.267 0.839 . . . . 10.0 113.267 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.67 -50.35 73.48 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.807 0.337 . . . . 10.0 111.171 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.9 t -71.56 -27.25 63.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.392 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -67.88 -30.38 69.72 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.294 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.555 HG22 ' O ' ' B' ' 23' ' ' LEU . 97.5 t -70.57 -44.65 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.98 0.419 . . . . 10.0 109.995 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -65.83 -40.02 91.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.022 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.455 ' HB3' ' HZ3' ' B' ' 33' ' ' LYS . 37.4 mt-10 -66.47 -38.72 87.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.028 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.0 -24.96 61.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.187 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.8 tp -73.03 -40.12 65.4 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.462 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -70.44 -36.57 74.03 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.716 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.455 ' HZ3' ' HB3' ' B' ' 29' ' ' GLU . 62.3 mttp -71.48 -25.21 62.18 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.08 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -44.33 69.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.58 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.84 -15.5 60.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.0 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.24 7.46 44.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.501 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -131.91 128.54 21.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.167 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -61.73 -58.82 0.35 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.914 2.409 . . . . 10.0 111.94 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.3 p -138.28 125.03 20.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.823 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.52 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -137.02 94.47 12.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.48 -35.96 46.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.393 2.062 . . . . 10.0 111.987 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.61 -43.47 47.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.1 -0.5 . . . . 10.0 112.05 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.52 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.8 mm? -71.18 -27.44 63.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.692 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -72.71 -34.96 67.46 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.948 -0.389 . . . . 10.0 109.948 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.38 87.51 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.433 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.09 -42.69 65.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.52 -33.68 76.47 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.191 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -62.92 -49.67 73.85 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.749 0.309 . . . . 10.0 111.31 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -71.63 -39.9 70.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.465 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -67.7 -34.8 77.62 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 tp -72.13 -30.54 65.15 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 71.4 m -74.4 -29.34 61.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.287 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -69.9 -36.19 75.21 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.469 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -67.19 -32.76 74.05 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -70.88 -34.08 71.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.603 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -41.38 95.41 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.651 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.05 -44.76 75.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.239 -0.891 . . . . 10.0 111.728 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -76.02 -17.61 59.6 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.145 0.794 . . . . 10.0 113.145 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.19 -63.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.17 -33.47 72.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.579 0.352 . . . . 10.0 110.8 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.469 ' O ' HG22 ' B' ' 65' ' ' VAL . 40.9 tt0 -62.48 -49.59 74.79 Favored 'General case' 0 C--O 1.226 -0.137 0 O-C-N 123.207 0.317 . . . . 10.0 111.208 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.5 m -64.71 -31.54 72.81 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.791 0.329 . . . . 10.0 110.954 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.427 ' O ' HG22 ' B' ' 67' ' ' VAL . 85.1 m-20 -70.05 -42.83 72.36 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.235 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 25.4 p -70.01 -37.79 75.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 61' ' ' GLN . 69.0 t -60.65 -37.56 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.761 0.315 . . . . 10.0 110.912 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -72.39 -41.62 66.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.562 0.578 . . . . 10.0 112.562 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.615 ' O ' HG13 ' B' ' 71' ' ' ILE . 21.6 t -62.14 -54.2 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . 0.61 ' HA ' HD13 ' B' ' 71' ' ' ILE . 67.8 t80 -58.97 -34.8 72.22 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -37.83 78.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.93 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.78 -18.9 60.4 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.287 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.615 HG13 ' O ' ' B' ' 67' ' ' VAL . 82.9 mt -68.59 -55.54 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.101 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -70.34 -20.16 63.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.826 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.66 74.39 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.852 0.358 . . . . 10.0 110.722 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.58 -36.48 78.79 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.614 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 43.7 mt -69.59 -35.83 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.415 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -28.12 43.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.553 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -76.17 -36.84 58.53 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.765 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -92.1 4.38 53.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.889 0.376 . . . . 10.0 111.175 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -62.48 -85.49 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.995 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.523 ' H ' ' HD3' ' B' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.115 -0.945 . . . . 10.0 111.581 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.716 0.293 . . . . 10.0 111.185 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.67 147.73 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 21.0 m -102.13 116.78 62.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.797 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.78 153.56 58.98 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.902 2.401 . . . . 10.0 112.575 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -78.14 110.35 13.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.507 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 30.9 p -152.51 152.17 31.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.35 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.44 -165.41 30.89 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.988 -0.625 . . . . 10.0 111.951 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -67.28 -40.38 86.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.772 0.32 . . . . 10.0 111.526 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.38 -38.26 81.18 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.857 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.03 -32.83 67.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.381 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.95 -37.08 83.62 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.174 -0.467 . . . . 10.0 111.649 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.98 -41.34 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.773 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m -66.32 -38.87 88.69 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.805 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 -24.57 58.84 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.394 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.21 -43.64 90.91 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.557 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . 0.474 ' O ' HG23 ' C' ' 20' ' ' VAL . 59.1 m-85 -74.68 -32.83 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.133 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.54 -39.75 94.34 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 20.8 m -73.22 -30.38 63.46 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.953 0.406 . . . . 10.0 111.014 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.41 -25.53 67.92 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.598 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.474 HG23 ' O ' ' C' ' 16' ' ' PHE . 25.4 m -114.01 24.33 4.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.736 0.303 . . . . 10.0 111.592 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.12 30.44 0.52 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -145.57 -49.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 10.0 111.277 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.521 ' O ' HG22 ' C' ' 27' ' ' VAL . 0.0 OUTLIER -68.28 -20.04 64.75 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -59.28 -49.28 78.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.85 0.357 . . . . 10.0 110.744 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -69.49 -26.82 64.74 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -69.13 -25.69 64.51 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.618 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.521 HG22 ' O ' ' C' ' 23' ' ' LEU . 46.6 t -69.47 -48.79 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 109.535 -0.542 . . . . 10.0 109.535 178.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -66.17 -39.83 90.02 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.531 -0.758 . . . . 10.0 111.492 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.46 -42.5 92.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 -24.31 61.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.338 . . . . 10.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . 0.472 HD12 ' HH ' ' C' ' 47' ' ' TYR . 62.8 tp -71.81 -39.1 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.377 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . 0.702 ' HA ' ' HE3' ' A' ' 15' ' ' LYS . 69.5 m-20 -70.12 -39.71 75.31 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.943 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.03 -23.29 61.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.201 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.84 -55.35 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.752 0.649 . . . . 10.0 112.752 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . 0.517 ' HB2' ' HZ1' ' A' ' 15' ' ' LYS . . . -76.54 -15.59 59.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.759 1.022 . . . . 10.0 113.759 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.32 18.76 14.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.301 0.572 . . . . 10.0 110.988 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.75 122.72 6.59 Favored Pre-proline 0 N--CA 1.454 -0.227 0 CA-C-N 115.0 -1.0 . . . . 10.0 109.257 179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -50.12 -69.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.597 2.865 . . . . 10.0 114.021 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 29.9 m -127.82 125.65 40.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.717 0.294 . . . . 10.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . 0.578 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -137.2 93.43 13.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.842 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -63.6 -37.02 49.88 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.569 2.18 . . . . 10.0 112.608 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.0 -40.09 60.84 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.682 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.0 mm? -72.82 -22.63 60.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.85 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 36.6 tp -73.74 -44.37 56.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.811 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.11 80.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.876 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.56 -38.88 70.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.85 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . 0.472 ' HH ' HD12 ' C' ' 31' ' ' LEU . 9.3 t80 -69.38 -34.47 74.59 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.032 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -59.67 -45.85 90.8 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.946 0.403 . . . . 10.0 110.848 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 43.9 t -71.9 -37.8 70.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.789 -0.642 . . . . 10.0 111.046 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 mmtm -58.44 -56.04 27.24 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.381 1.252 . . . . 10.0 114.381 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -29.81 66.36 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' SER . . . . . 0.401 ' O ' HD23 ' C' ' 56' ' ' LEU . 78.7 p -69.42 -30.51 68.48 Favored 'General case' 0 C--O 1.228 -0.075 0 C-N-CA 120.716 -0.394 . . . . 10.0 110.321 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.89 -37.08 78.79 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.4 -0.592 . . . . 10.0 109.4 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . 0.527 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 88.3 t80 -68.56 -33.6 74.37 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.466 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.44 -49.83 69.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.147 -0.933 . . . . 10.0 111.369 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . 0.401 HD23 ' O ' ' C' ' 52' ' ' SER . 0.3 OUTLIER -73.58 -27.79 61.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.246 0.832 . . . . 10.0 113.246 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . 0.404 ' CE2' ' HG2' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -65.16 -43.08 92.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.083 0.468 . . . . 10.0 109.748 178.457 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.404 ' HG2' ' CE2' ' C' ' 57' ' ' TYR . 1.5 mmp_? -76.68 -31.66 57.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.544 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.59 -41.33 88.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.854 0.359 . . . . 10.0 110.18 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.01 -34.12 68.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.767 -0.652 . . . . 10.0 110.506 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . 0.566 ' O ' HG22 ' C' ' 65' ' ' VAL . 39.6 tt0 -69.22 -39.65 78.44 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.583 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 58.6 m -65.34 -36.13 83.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.974 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -72.8 -41.32 65.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.607 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 24.3 p -64.95 -37.56 88.05 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . 0.566 HG22 ' O ' ' C' ' 61' ' ' GLN . 62.3 t -66.66 -52.66 43.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . 0.555 ' HA ' ' CE ' ' C' ' 69' ' ' LYS . 11.4 tmtt? -58.13 -42.44 85.85 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.479 0.918 . . . . 10.0 113.479 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.95 -45.62 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -61.4 -32.75 72.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 10.0 111.569 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.557 ' HD3' ' O ' ' C' ' 65' ' ' VAL . 0.8 OUTLIER -70.71 -36.53 73.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.194 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.61 -28.44 66.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.85 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.12 -50.18 55.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.926 0.393 . . . . 10.0 110.033 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -71.08 -21.83 62.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.697 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.9 73.99 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.72 0.295 . . . . 10.0 111.096 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.49 -36.07 68.32 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.634 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 45.7 mt -74.14 -33.61 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.296 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mp -69.01 -30.28 46.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.433 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -82.63 -27.31 31.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.772 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.26 -4.76 58.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.041 0.448 . . . . 10.0 110.616 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -53.26 -83.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.838 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . 0.654 ' HD3' ' H ' ' C' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.312 -0.851 . . . . 10.0 111.588 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.749 0.309 . . . . 10.0 111.051 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.28 147.25 26.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.166 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 18.9 m -99.98 116.28 64.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.619 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.33 139.95 47.13 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.73 2.286 . . . . 10.0 112.345 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 42.3 t90 -75.24 111.03 10.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.5 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 22.9 p -154.26 143.7 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.198 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.21 -170.1 23.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.064 -0.588 . . . . 10.0 111.929 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -67.17 -38.92 86.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.644 0.259 . . . . 10.0 111.639 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 52.6 tp -72.39 -35.21 68.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.902 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -72.15 -32.76 67.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.165 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -67.33 -38.31 84.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.364 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.85 -38.58 76.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.919 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m -66.57 -40.12 88.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.864 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.27 58.56 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.294 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -67.28 -39.55 86.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.795 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -77.52 -34.21 54.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.002 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.13 -43.73 90.99 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -77.17 -26.57 53.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.922 0.392 . . . . 10.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.12 -38.07 92.0 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.87 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -118.81 31.4 2.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.916 0.389 . . . . 10.0 111.301 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.71 -26.76 68.51 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.822 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -85.64 -30.75 23.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.302 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . 0.421 ' O ' HG22 ' D' ' 27' ' ' VAL . 46.9 mt -70.11 -24.97 63.28 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.05 -49.35 76.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.716 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -72.11 -27.09 62.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.181 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -67.84 -33.17 74.25 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.554 -0.294 . . . . 10.0 111.563 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.421 HG22 ' O ' ' D' ' 23' ' ' LEU . 89.9 t -72.07 -40.65 67.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.605 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 18.1 m -65.59 -41.21 93.11 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.903 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.17 -31.74 70.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.391 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' D' ' 34' ' ' LEU . . . -73.3 -24.48 60.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.171 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.37 -43.12 61.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.791 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -70.15 -35.47 74.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.188 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -42.21 69.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.376 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.493 ' HB3' ' HE2' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -68.58 -29.27 67.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.401 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . 0.795 ' HA ' ' HZ2' ' B' ' 15' ' ' LYS . . . -55.54 -43.75 76.08 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.872 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.386 . . -111.55 24.24 13.0 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 115.541 1.682 . . . . 10.0 115.541 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' D' ' 37' ' ' LYS . 32.3 mmtm -123.78 107.61 31.17 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 107.172 -1.418 . . . . 10.0 107.172 176.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -67.97 -73.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.72 2.28 . . . . 10.0 113.11 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' SER . . . . . 0.744 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . 2.3 p -104.02 120.26 40.68 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.699 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.3 OUTLIER -142.13 106.7 5.7 Favored Pre-proline 0 C--O 1.217 -0.61 0 N-CA-C 114.579 1.326 . . . . 10.0 114.579 -178.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.569 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 33.0 Cg_endo -66.17 -45.35 5.77 Favored 'Trans proline' 0 C--N 1.333 -0.28 0 C-N-CA 122.849 2.366 . . . . 10.0 112.874 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.8 -43.83 35.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.355 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.659 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 3.7 mm? -68.36 -23.04 64.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.356 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.699 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -79.9 -39.13 31.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.53 178.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.17 92.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.014 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.71 -48.75 58.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -63.97 -33.48 75.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.963 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . 0.713 HE21 ' HA ' ' A' ' 79' ' ' PHE . 53.3 tt0 -62.56 -49.58 74.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.3 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 46.8 t -75.15 -38.81 60.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -70.09 -34.79 73.6 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -69.4 -40.51 77.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.147 0.499 . . . . 10.0 110.069 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 62.8 p -73.76 -28.54 61.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.309 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -63.82 -36.39 83.73 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.74 -37.61 87.26 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.109 -0.95 . . . . 10.0 109.704 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -63.14 -45.78 90.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.201 -0.908 . . . . 10.0 112.292 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.41 -27.98 65.76 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -40.05 80.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -75.81 -35.13 60.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.822 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.64 -46.87 65.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.034 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.03 93.47 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.184 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . 0.502 ' O ' HG22 ' D' ' 65' ' ' VAL . 36.4 tt0 -69.14 -35.38 76.29 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.144 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 58.3 m -71.15 -28.93 64.62 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.798 0.333 . . . . 10.0 111.038 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.99 -37.66 66.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.39 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 34.1 p -68.66 -37.42 79.64 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . 0.502 HG22 ' O ' ' D' ' 61' ' ' GLN . 21.8 t -66.38 -34.47 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.935 0.398 . . . . 10.0 110.009 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -70.21 -36.26 74.47 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.898 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.71 -54.98 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -58.21 -39.32 78.73 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -72.69 -35.7 67.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -36.16 71.17 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 25.6 pt -71.48 -39.0 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 120.964 -0.295 . . . . 10.0 111.651 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.38 -25.59 61.56 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.13 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.45 -34.83 70.6 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.801 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.34 -38.76 78.29 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.655 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 49.8 mt -69.92 -33.89 57.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.234 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.62 -26.91 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.249 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -74.82 -40.26 61.19 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.349 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -90.36 3.96 52.23 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.72 0.295 . . . . 10.0 111.632 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -59.9 -85.82 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.42 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . 0.461 ' HD3' ' H ' ' D' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.137 -0.935 . . . . 10.0 111.587 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.809 0.338 . . . . 10.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.56 106.82 18.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.52 107.31 43.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.215 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.24 165.72 27.4 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.946 2.431 . . . . 10.0 112.231 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.07 111.79 9.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.54 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 p -160.05 145.58 15.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.054 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.0 -177.55 33.19 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.313 -0.946 . . . . 10.0 114.008 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -66.6 -30.52 70.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.912 0.387 . . . . 10.0 111.015 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.454 HD23 ' HG ' ' D' ' 39' ' ' SER . 0.8 OUTLIER -73.9 -34.08 64.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.516 179.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.405 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 12.3 m-20 -70.21 -27.95 64.89 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.986 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -74.34 -36.95 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.567 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.11 -45.0 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.313 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 p -65.62 -39.14 91.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.204 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.74 -23.03 59.7 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.965 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -63.49 -44.44 94.34 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.37 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.414 ' O ' HG23 ' A' ' 20' ' ' VAL . 61.2 m-85 -74.0 -30.55 62.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.672 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.81 -50.41 64.75 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 m -66.88 -23.57 66.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.069 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.34 -52.6 10.3 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.612 -0.722 . . . . 10.0 112.849 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 16' ' ' PHE . 26.9 m -99.03 31.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.914 0.388 . . . . 10.0 111.577 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.56 -52.16 66.34 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.318 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -88.87 -14.59 36.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.809 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.66 -37.69 73.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.508 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -63.48 -40.69 97.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.969 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -70.63 -26.4 63.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.617 0.246 . . . . 10.0 111.51 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -72.11 -27.1 62.42 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.504 -0.317 . . . . 10.0 110.895 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.3 t -70.22 -48.28 62.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.149 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.9 p -65.99 -34.91 79.18 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.846 -0.615 . . . . 10.0 112.006 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -68.94 -29.56 67.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.907 0.385 . . . . 10.0 110.651 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.5 -26.93 61.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.914 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.65 -37.03 68.1 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.714 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -70.2 -34.49 72.99 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.682 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -70.94 -41.58 70.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.912 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -25.89 66.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.085 -0.507 . . . . 10.0 112.06 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.45 -21.3 62.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.135 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.86 7.89 17.14 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 111.788 0.292 . . . . 10.0 111.788 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -117.06 122.93 30.65 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.686 -0.234 . . . . 10.0 111.524 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.68 -66.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.962 2.441 . . . . 10.0 111.516 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -127.82 123.25 34.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.936 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -138.57 96.94 9.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.787 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.81 -37.05 47.45 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.324 2.016 . . . . 10.0 112.315 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.87 -46.09 32.04 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.5 mm? -69.4 -29.13 66.8 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.93 -35.76 67.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.636 0.255 . . . . 10.0 111.184 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.72 -36.74 76.15 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.769 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.99 -31.35 64.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.761 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -72.76 -39.22 66.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.395 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.74 -37.58 86.76 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.138 0.421 . . . . 10.0 112.138 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.4 p -73.28 -39.11 65.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -75.11 -23.62 57.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.841 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 tp -74.72 -39.79 61.69 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.252 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 p -72.86 -29.65 63.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.798 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.74 -36.75 83.17 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.122 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -66.67 -35.06 79.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.773 -0.648 . . . . 10.0 110.027 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -66.48 -38.98 88.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.695 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.92 -32.7 72.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.819 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -45.66 87.71 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.812 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.29 -31.55 60.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.413 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -65.21 -54.43 29.67 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.176 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.51 -31.43 72.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.997 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -69.02 -48.73 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.658 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.1 p -71.09 -27.26 63.49 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -70.69 -39.82 73.27 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.144 0.424 . . . . 10.0 112.144 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.0 p -69.68 -38.43 77.03 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.21 -38.45 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.855 0.359 . . . . 10.0 111.632 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -76.0 -33.09 59.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.296 1.221 . . . . 10.0 114.296 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.2 t -77.58 -42.89 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.349 -0.541 . . . . 10.0 111.855 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.8 -35.44 76.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.995 0.426 . . . . 10.0 110.512 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -35.61 69.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.984 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.58 -36.57 82.95 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.953 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 67' ' ' VAL . 38.9 mt -59.0 -52.48 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-O 121.476 0.655 . . . . 10.0 110.301 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.12 -19.51 63.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.866 -1.061 . . . . 10.0 113.211 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.39 88.56 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.221 0.534 . . . . 10.0 109.648 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.07 -27.7 61.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.599 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.708 HD11 ' NE ' ' C' ' 58' ' ' ARG . 10.1 mm -64.4 -52.71 51.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 115.133 -0.94 . . . . 10.0 111.063 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.517 ' HA ' ' HB2' ' A' ' 79' ' ' PHE . 12.5 pt -64.91 -24.37 35.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.525 -0.761 . . . . 10.0 112.694 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -74.34 -29.17 61.47 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.296 -0.562 . . . . 10.0 110.045 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -101.95 7.42 41.4 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.391 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.517 ' HB2' ' HA ' ' A' ' 76' ' ' ILE . 1.2 t80 -66.18 -82.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.056 -0.975 . . . . 10.0 110.271 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.642 ' HD3' ' ND2' ' B' ' 63' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.093 -0.956 . . . . 10.0 111.674 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.747 0.308 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.36 107.94 19.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.97 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.4 p -117.19 108.58 43.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.17 157.24 46.43 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.718 2.279 . . . . 10.0 112.051 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.88 111.19 8.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.099 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 35.7 p -160.18 149.68 17.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.626 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.76 -175.99 32.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.64 -0.79 . . . . 10.0 112.583 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -67.16 -32.24 73.21 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.738 0.273 . . . . 10.0 111.738 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -33.81 71.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.053 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -72.15 -28.08 63.01 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.989 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.27 -39.2 65.58 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.515 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.37 -38.0 80.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.735 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 38.4 m -65.95 -44.35 85.28 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.557 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.05 -22.94 62.06 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.392 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -62.96 -46.62 86.89 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.733 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.428 ' O ' HG23 ' B' ' 20' ' ' VAL . 66.9 m-85 -75.06 -28.31 60.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.618 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.27 -50.72 64.67 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.6 p -66.61 -22.64 66.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.55 -52.84 9.32 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 115.316 -0.856 . . . . 10.0 112.774 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 16' ' ' PHE . 15.9 m -101.92 31.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.16 0.505 . . . . 10.0 111.957 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.6 -52.07 64.84 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.552 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -91.07 -13.62 32.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.413 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.411 ' O ' HG22 ' B' ' 27' ' ' VAL . 3.2 tm? -71.11 -36.78 72.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.132 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -64.45 -40.11 95.09 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.692 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -70.57 -26.33 63.48 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.617 -0.265 . . . . 10.0 111.404 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -72.45 -27.57 62.4 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.727 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.411 HG22 ' O ' ' B' ' 23' ' ' LEU . 42.9 t -70.52 -45.84 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.308 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.3 p -68.69 -33.93 74.8 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.564 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.08 -29.79 67.97 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.387 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.43 62.88 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.648 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -72.01 -36.93 69.85 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.623 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -70.4 -34.56 72.67 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.431 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -71.23 -37.0 72.03 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.82 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.15 -27.51 65.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.573 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.65 60.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.581 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.67 3.86 18.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.519 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -121.09 125.72 26.88 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.44 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -67.5 -57.73 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.843 2.362 . . . . 10.0 111.026 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 64.7 m -136.77 124.17 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.418 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.422 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.9 OUTLIER -137.36 94.83 11.92 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.806 -179.522 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.28 -35.32 51.94 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.199 1.933 . . . . 10.0 112.198 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.49 -45.87 35.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.101 -0.499 . . . . 10.0 112.095 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.422 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.0 mm? -71.84 -24.51 61.71 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.0 tp -73.12 -40.24 65.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.525 0.202 . . . . 10.0 110.664 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.39 -32.81 73.14 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.959 0.409 . . . . 10.0 110.418 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.96 65.67 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.407 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -72.19 -34.47 68.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.979 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.51 -39.9 95.66 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.38 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -76.26 -46.65 27.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.104 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.431 ' HD3' ' OE1' ' B' ' 53' ' ' GLU . 30.6 mmtm -62.8 -32.5 73.69 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.019 0.748 . . . . 10.0 113.019 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 tp -72.66 -43.05 63.66 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.116 0.484 . . . . 10.0 110.544 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -68.33 -28.7 67.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.868 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.431 ' OE1' ' HD3' ' B' ' 50' ' ' LYS . 32.8 mt-10 -67.95 -35.57 78.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.016 178.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -61.65 -33.27 73.67 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -68.41 -31.17 70.32 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.183 -0.917 . . . . 10.0 110.656 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -33.82 76.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.046 0.451 . . . . 10.0 110.755 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 0.2 OUTLIER -69.9 -49.11 55.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.6 -0.727 . . . . 10.0 112.226 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -32.49 61.83 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 -178.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -67.7 -58.61 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.42 -30.86 70.84 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.521 0.201 . . . . 10.0 110.729 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' B' ' 57' ' ' TYR . 1.8 tt0 -63.28 -46.86 84.85 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.523 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 37.4 m -68.36 -35.31 77.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.934 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.642 ' ND2' ' HD3' ' A' ' 80' ' ' ARG . 5.3 m120 -62.71 -44.68 95.6 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.435 0.531 . . . . 10.0 112.435 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 27.4 p -70.11 -42.28 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.64 -34.57 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -74.1 -37.45 64.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 114.077 1.14 . . . . 10.0 114.077 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.03 -40.25 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -65.75 -34.69 78.76 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -74.05 -35.03 64.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.261 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.29 -43.3 74.11 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.682 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.423 HG21 ' OD1' ' D' ' 55' ' ' ASN . 48.4 pt -67.8 -33.42 61.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.081 0.467 . . . . 10.0 110.479 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -72.72 -28.4 62.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.375 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.56 72.63 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.355 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.09 73.31 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.627 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 37.2 mt -64.7 -46.12 93.2 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.596 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 22.4 mt -57.46 -37.72 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.293 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -66.84 -37.58 84.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 10.0 111.36 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -96.06 9.67 40.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.362 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -90.37 28.12 1.53 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.955 0.407 . . . . 10.0 111.487 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.262 -0.875 . . . . 10.0 110.681 179.806 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.657 0.265 . . . . 10.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.03 104.68 17.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.524 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 2.6 p -127.33 108.9 21.26 Favored Pre-proline 0 C--N 1.333 -0.13 0 CA-C-O 121.001 0.429 . . . . 10.0 111.833 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -76.02 173.81 13.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.649 2.899 . . . . 10.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -78.12 109.84 12.56 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.104 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -159.18 153.06 23.2 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.79 -171.77 31.43 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.201 -0.523 . . . . 10.0 112.412 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -67.3 -33.64 75.7 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.226 0.454 . . . . 10.0 112.226 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.406 ' H ' HD22 ' C' ' 9' ' ' LEU . 1.1 pt? -66.85 -29.0 68.79 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.91 -28.89 63.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.362 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -74.71 -36.73 62.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.338 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -68.26 -44.98 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.391 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 31.0 p -65.06 -39.34 93.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.031 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.0 -23.0 60.58 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.213 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -64.43 -42.77 95.83 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.201 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . 0.435 ' O ' HG23 ' C' ' 20' ' ' VAL . 44.6 m-85 -74.5 -32.23 62.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.472 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -64.93 -40.58 95.27 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -73.74 -27.16 61.04 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.936 0.398 . . . . 10.0 111.02 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.29 -41.52 37.85 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.044 -0.598 . . . . 10.0 112.719 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.435 HG23 ' O ' ' C' ' 16' ' ' PHE . 34.6 m -102.14 27.11 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.639 0.256 . . . . 10.0 111.677 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.67 -51.22 70.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.934 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -92.64 -12.96 30.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.828 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.94 -40.37 72.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.305 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -64.05 -38.16 90.05 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -72.07 -26.78 62.3 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.532 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -73.13 -25.7 60.94 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.773 0.32 . . . . 10.0 110.724 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 87.9 t -71.65 -47.78 55.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.341 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.5 p -66.53 -33.75 76.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.577 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.54 -29.52 68.11 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.929 0.395 . . . . 10.0 110.417 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.91 -26.56 60.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.827 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -42.18 68.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.552 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.41 -31.3 68.45 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.641 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -46.07 66.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.461 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -26.03 66.27 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.437 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.07 -35.83 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.72 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.56 25.33 9.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' C' ' 37' ' ' LYS . 33.6 mmtm -116.44 113.76 40.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.205 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.46 -72.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.359 2.706 . . . . 10.0 112.69 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -130.54 124.33 31.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.674 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . 0.589 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.5 OUTLIER -137.91 93.58 11.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.814 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.95 -36.66 48.26 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.234 1.956 . . . . 10.0 112.198 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.41 -41.73 55.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.262 -0.426 . . . . 10.0 112.002 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.589 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.6 mm? -71.47 -28.7 64.12 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 tp -72.98 -36.18 67.02 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.76 0.314 . . . . 10.0 110.863 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.89 72.2 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.403 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.47 64.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.677 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -72.31 -39.8 67.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.08 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.27 -37.36 80.64 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 68.8 p -71.91 -38.79 69.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.453 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -78.54 -22.3 47.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 10.0 111.711 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -75.06 -35.65 61.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 10.0 110.586 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 73.6 p -73.32 -31.32 63.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.941 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.33 -35.98 82.63 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.444 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . 0.474 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 71.7 t80 -65.66 -34.46 78.25 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.862 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -71.14 -38.93 72.24 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.224 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.56 -31.34 63.58 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -42.93 89.9 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.708 ' NE ' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -75.59 -34.34 60.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.085 -0.961 . . . . 10.0 111.4 -179.304 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -64.48 -43.19 94.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.998 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.43 -29.83 67.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.242 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -69.2 -46.37 67.59 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.247 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' C' ' 66' ' ' LYS . 59.5 p -71.62 -26.51 62.6 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.867 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -75.34 -44.96 42.39 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -63.41 -38.91 92.95 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.37 -45.5 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 121.082 -0.247 . . . . 10.0 111.488 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' C' ' 62' ' ' SER . 32.4 mmtm -66.3 -27.75 68.15 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 95.7 t -78.42 -54.21 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -61.39 -34.83 76.0 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -72.2 -34.56 68.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.195 179.339 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.3 -34.03 76.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.653 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 83.9 mt -63.4 -44.44 98.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.603 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.38 -21.7 62.83 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.198 -0.456 . . . . 10.0 112.189 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.75 -41.59 83.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.02 0.438 . . . . 10.0 110.533 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.19 -28.83 61.47 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.182 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.69 -47.18 83.93 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.36 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -30.09 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -66.51 -33.18 75.11 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.946 0.403 . . . . 10.0 110.832 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -108.69 13.45 25.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.915 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -84.56 -85.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.971 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . 0.823 ' HD3' ' HB3' ' D' ' 63' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.184 -0.912 . . . . 10.0 111.994 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.745 0.307 . . . . 10.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.87 112.24 21.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.767 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -117.62 106.78 45.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.036 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.0 155.65 47.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.619 2.213 . . . . 10.0 111.784 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.92 111.11 8.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 29.1 p -161.6 152.03 17.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.738 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.51 -174.77 34.64 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.517 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -67.02 -30.65 70.8 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.892 0.33 . . . . 10.0 111.892 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.491 HD12 ' HZ2' ' D' ' 69' ' ' LYS . 0.6 OUTLIER -71.09 -33.47 70.22 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.189 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -72.24 -28.66 63.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.008 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.58 -37.17 63.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.055 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -69.39 -44.63 80.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.268 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 43.3 p -64.3 -40.91 96.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.11 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -23.01 61.28 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.349 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -66.72 -38.53 86.88 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-O 120.931 0.396 . . . . 10.0 110.47 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -77.35 -34.76 55.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.203 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -65.5 -46.23 80.5 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.842 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -79.77 -24.45 41.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.67 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.93 -45.86 70.71 Favored Glycine 0 C--N 1.329 0.175 0 C-N-CA 120.855 -0.688 . . . . 10.0 112.952 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . 0.597 ' HB ' HD21 ' D' ' 23' ' ' LEU . 33.4 m -113.62 32.16 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.31 0.576 . . . . 10.0 111.621 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.54 -30.73 69.94 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.24 -0.891 . . . . 10.0 113.2 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -87.68 -36.99 17.11 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.764 1.394 . . . . 10.0 114.764 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . 0.597 HD21 ' HB ' ' D' ' 20' ' ' VAL 0.418 0.0 OUTLIER -71.39 -20.2 62.17 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 114.335 1.235 . . . . 10.0 114.335 -179.941 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -61.03 -44.5 97.32 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -73.18 -26.57 61.23 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.374 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -69.0 -26.67 65.13 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.727 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.45 HG22 ' O ' ' D' ' 23' ' ' LEU . 96.3 t -73.25 -48.19 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.043 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.058 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.3 p -63.85 -32.93 74.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.213 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -71.94 -29.54 64.39 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.683 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.29 -28.02 61.87 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.737 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' D' ' 31' ' ' LEU . 0.3 OUTLIER -73.15 -36.88 66.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.852 179.338 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.55 -36.09 81.83 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.785 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' D' ' 37' ' ' LYS . 62.3 mttp -71.4 -45.98 61.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.259 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -25.38 68.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.607 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.16 -37.28 45.46 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.72 24.77 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . 0.517 ' HB3' ' OD1' ' D' ' 40' ' ' ASP . 42.8 mmtm -116.55 107.86 46.1 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.25 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.49 -75.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.727 2.285 . . . . 10.0 112.38 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' SER . . . . . 0.454 ' HG ' HD23 ' A' ' 9' ' ' LEU . 64.3 p -109.45 123.78 49.94 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 178.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.517 ' OD1' ' HB3' ' D' ' 37' ' ' LYS . 0.4 OUTLIER -137.3 102.88 8.82 Favored Pre-proline 0 N--CA 1.442 -0.825 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -177.393 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.474 ' HB2' ' HH ' ' C' ' 54' ' ' TYR . 24.0 Cg_endo -65.05 -45.79 7.24 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.292 1.995 . . . . 10.0 112.238 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.22 -53.51 7.26 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.737 1.014 . . . . 10.0 113.737 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.72 -33.8 73.43 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 114.52 1.304 . . . . 10.0 114.52 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.492 ' CD1' ' HB2' ' D' ' 40' ' ' ASP . 5.0 mp -76.54 -32.9 58.5 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.94 91.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.958 0.409 . . . . 10.0 110.936 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.42 -32.52 70.17 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.398 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -72.8 -36.17 67.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.327 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' D' ' 44' ' ' LEU . 48.0 mt-30 -60.99 -43.08 99.39 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.201 0.313 . . . . 10.0 111.729 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.8 p -68.4 -40.16 81.42 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -77.74 -19.16 55.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.963 0.411 . . . . 10.0 111.423 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.92 -46.66 51.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.637 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 69.4 p -74.0 -27.48 60.98 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.574 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -62.35 -35.93 80.64 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.03 -36.64 83.81 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.431 -0.804 . . . . 10.0 108.842 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . 0.423 ' OD1' HG21 ' B' ' 71' ' ' ILE . 0.8 OUTLIER -56.44 -53.24 59.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.439 -1.255 . . . . 10.0 111.514 179.139 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.03 -29.04 64.85 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -45.1 92.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.034 0.445 . . . . 10.0 110.583 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -31.11 50.12 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.244 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -63.11 -55.91 21.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.575 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.06 -31.43 72.65 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -69.51 -49.93 49.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.146 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 92.5 p -68.59 -32.44 72.35 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . 0.823 ' HB3' ' HD3' ' C' ' 80' ' ' ARG . 4.2 m120 -65.83 -37.19 85.56 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 33.7 p -69.77 -37.6 76.45 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.42 -44.42 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.921 0.391 . . . . 10.0 111.927 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -70.64 -36.52 73.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.788 1.033 . . . . 10.0 113.788 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . 0.438 ' O ' HG12 ' D' ' 71' ' ' ILE . 91.7 t -79.77 -42.42 22.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.383 0.882 . . . . 10.0 113.383 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -61.36 -34.71 75.76 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.064 0.459 . . . . 10.0 110.271 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . 0.491 ' HZ2' HD12 ' D' ' 9' ' ' LEU . 10.9 mptt -72.92 -35.04 66.97 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.123 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.6 -37.58 87.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.552 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . 0.438 HG12 ' O ' ' D' ' 67' ' ' VAL . 39.6 mm -64.46 -47.97 87.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.147 0.498 . . . . 10.0 110.403 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . 0.524 ' O ' HG12 ' D' ' 76' ' ' ILE . 3.0 t70 -67.83 -27.96 67.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.58 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.5 87.77 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.144 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.14 75.14 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.105 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 68.3 mt -68.45 -37.81 78.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.903 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . 0.524 HG12 ' O ' ' D' ' 72' ' ' ASP . 46.5 mm -61.26 -37.9 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.166 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -67.54 -35.53 79.24 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.293 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -95.86 10.61 36.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.284 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -91.06 28.41 1.61 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.736 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.346 -0.835 . . . . 10.0 110.875 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.712 0.292 . . . . 10.0 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.41 114.05 26.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.421 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 p -95.59 128.72 36.94 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.634 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.19 137.99 35.45 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.73 2.286 . . . . 10.0 111.525 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.411 ' HZ2' HD22 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -76.42 110.46 10.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.74 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.2 p -141.73 153.68 44.78 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 111.783 0.29 . . . . 10.0 111.783 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.99 168.46 41.6 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.522 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -66.66 -37.97 85.87 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' D' ' 39' ' ' SER . 0.6 OUTLIER -74.92 -30.61 61.31 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.774 179.503 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.43 -34.99 75.25 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.291 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -71.51 -36.18 70.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.26 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -73.49 -28.08 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.877 0.37 . . . . 10.0 111.753 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -73.27 -43.27 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 10.0 110.836 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.42 -25.64 62.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.906 -0.588 . . . . 10.0 112.145 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 12' ' ' VAL . 18.2 ptmt -70.14 -38.39 75.51 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.57 0.224 . . . . 10.0 111.259 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -70.34 -34.57 72.81 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.115 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -66.23 -50.94 62.08 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -68.17 -23.63 64.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 10.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.27 -36.0 70.33 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.538 -0.756 . . . . 10.0 113.315 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.3 m -115.76 31.85 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.948 0.404 . . . . 10.0 111.271 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.77 -7.11 46.21 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -116.33 -23.74 8.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 10.0 109.924 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -30.69 71.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.937 -1.029 . . . . 10.0 110.992 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.84 -44.99 94.66 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -68.74 -26.31 65.18 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.785 0.326 . . . . 10.0 111.278 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -69.75 -27.53 65.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.173 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -72.76 -45.03 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.61 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.5 p -68.26 -26.68 65.8 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.476 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -66.45 -49.44 66.67 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.236 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.25 -24.19 63.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.756 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -70.83 -36.3 72.84 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.95 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -67.64 -38.29 83.62 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.767 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mppt? -71.38 -26.41 62.77 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.488 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.87 -26.03 49.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.847 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -23.16 63.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.27 6.38 24.53 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -116.56 126.73 27.3 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.602 0.239 . . . . 10.0 111.619 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -72.56 -68.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.993 2.462 . . . . 10.0 111.2 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -121.8 123.91 42.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.609 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.556 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -137.67 98.81 9.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.488 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -63.76 -41.35 24.7 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.468 2.112 . . . . 10.0 112.631 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.27 -43.06 43.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.1 mm? -70.34 -27.33 64.27 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.77 -31.85 67.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.553 0.216 . . . . 10.0 111.535 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.78 75.64 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.833 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.41 65.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.428 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -72.27 -35.16 68.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.828 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -67.67 -43.25 80.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.859 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 m -69.18 -39.08 78.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.258 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -73.38 -27.41 61.46 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.382 0.512 . . . . 10.0 112.382 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -72.64 -39.45 67.19 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.3 m -71.01 -29.74 65.77 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.001 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.44 -37.3 87.04 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.252 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -67.92 -35.65 78.82 Favored 'General case' 0 C--N 1.337 0.038 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.629 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -74.97 -19.83 59.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.07 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.36 -45.39 55.3 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.585 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -33.44 66.86 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.894 0.378 . . . . 10.0 111.234 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -41.37 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.199 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -77.38 -32.59 55.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.257 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.79 83.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.725 0.297 . . . . 10.0 110.996 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -71.2 -41.27 70.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.328 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 p -71.87 -25.6 62.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.584 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.401 ' O ' HG22 ' A' ' 67' ' ' VAL . 68.1 m-20 -76.16 -36.86 58.55 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 111.921 0.341 . . . . 10.0 111.921 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -42.6 88.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.741 0.305 . . . . 10.0 111.209 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 15.8 m -80.01 -15.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.983 0.735 . . . . 10.0 112.983 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -85.28 -47.53 9.96 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 120.655 -0.418 . . . . 10.0 111.673 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 63' ' ' ASN . 6.5 t -69.22 -35.47 68.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 10.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.42 ' CZ ' ' HD3' ' D' ' 41' ' ' PRO . 10.5 t80 -70.48 -39.53 74.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.966 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -65.84 -33.42 75.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.165 179.135 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.12 -47.29 74.62 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.799 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.685 HD11 ' HB3' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -70.05 -34.55 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.062 0.458 . . . . 10.0 111.071 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.22 -46.82 72.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.97 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.93 -33.89 67.43 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.62 -48.6 76.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.004 0.43 . . . . 10.0 110.374 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.83 -50.59 74.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.818 0.818 . . . . 10.0 110.186 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 HD11 HD12 ' D' ' 44' ' ' LEU . 0.8 OUTLIER -56.41 -44.93 81.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.836 -1.074 . . . . 10.0 113.518 -179.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -76.7 -11.24 59.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.12 0.486 . . . . 10.0 111.688 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.58 ' C ' ' H ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -77.57 -19.11 56.18 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.584 178.697 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.548 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 41.9 m-85 -66.95 28.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.254 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.58 ' H ' ' C ' ' A' ' 78' ' ' ASN . 43.9 ttp180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.5 -0.762 . . . . 10.0 111.515 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.766 0.317 . . . . 10.0 110.909 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.86 120.32 27.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 25.2 p -100.33 125.45 39.44 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.058 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.67 131.84 27.11 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.753 2.302 . . . . 10.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.73 111.46 8.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.619 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 28.9 p -148.47 144.47 27.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.309 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.34 169.24 35.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.0 -0.619 . . . . 10.0 112.232 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -66.68 -38.78 87.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.311 . . . . 10.0 111.263 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -30.13 63.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.827 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.79 -35.12 69.91 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.005 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -68.98 -36.09 77.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.776 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.33 -36.14 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.989 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -66.48 -48.28 70.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.011 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.81 -23.37 61.54 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.306 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.661 ' HZ3' ' HB3' ' D' ' 34' ' ' LEU . 0.1 OUTLIER -64.53 -42.19 95.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.704 179.42 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.509 ' O ' HG23 ' B' ' 20' ' ' VAL . 16.0 m-85 -75.68 -34.97 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.615 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.27 -52.58 53.45 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.539 1.311 . . . . 10.0 114.539 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 11.5 m -64.43 -24.88 67.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.194 0.521 . . . . 10.0 110.866 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.47 -39.92 29.19 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 114.885 0.714 . . . . 10.0 114.885 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.509 HG23 ' O ' ' B' ' 16' ' ' PHE . 34.0 m -108.44 31.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.441 0.639 . . . . 10.0 111.8 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.18 18.66 0.83 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.951 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.5 -33.83 1.85 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.536 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.562 ' O ' HG22 ' B' ' 27' ' ' VAL . 2.4 pp -68.29 -21.37 64.79 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -61.79 -45.17 95.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.67 0.271 . . . . 10.0 110.998 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 14.6 t -71.92 -26.06 62.15 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.862 0.363 . . . . 10.0 110.349 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -71.38 -26.92 62.99 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.074 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 23' ' ' LEU . 60.2 t -72.74 -45.46 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 40.2 p -68.94 -26.75 65.23 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.175 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -66.77 -48.78 68.0 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.934 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.91 -24.26 63.35 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.763 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.47 -36.06 71.06 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.015 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -66.97 -40.07 87.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.506 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mppt? -71.6 -21.88 61.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.135 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -34.08 62.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.048 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.15 -12.07 60.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.822 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.55 8.1 29.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -126.66 127.49 24.48 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.592 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.85 -60.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.835 2.357 . . . . 10.0 110.479 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 63.3 m -128.69 124.26 35.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.1 95.91 11.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.47 -32.42 59.8 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.389 2.059 . . . . 10.0 111.175 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.19 -51.27 12.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.336 -0.847 . . . . 10.0 112.256 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.55 -22.97 63.51 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 tp -72.24 -32.7 66.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 10.0 110.797 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.31 -37.53 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.727 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.24 -33.3 65.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.558 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -72.62 -34.17 67.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.86 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -68.3 -43.57 77.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.542 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -69.18 -38.5 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.115 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -74.19 -30.6 62.3 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.228 -0.442 . . . . 10.0 112.024 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -69.16 -38.24 78.65 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.425 ' O ' HD12 ' B' ' 56' ' ' LEU . 49.9 m -73.08 -29.2 62.77 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.411 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -63.28 -36.84 85.0 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -66.45 -36.4 82.7 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.643 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -74.14 -20.99 60.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.828 -0.623 . . . . 10.0 110.959 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.425 HD12 ' O ' ' B' ' 52' ' ' SER . 1.0 OUTLIER -67.34 -46.87 72.16 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.8 0.334 . . . . 10.0 110.39 179.788 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -41.76 61.09 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -50.6 35.92 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.897 1.073 . . . . 10.0 113.897 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -74.05 -23.93 59.46 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.917 1.08 . . . . 10.0 113.917 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.41 -38.11 63.18 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -69.31 -34.38 74.58 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 40.2 t -71.4 -36.93 71.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.268 -0.878 . . . . 10.0 110.465 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.548 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 21.4 m-20 -75.55 -35.51 60.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 10.0 112.33 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -69.91 -41.27 74.89 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.72 -19.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.359 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -77.18 -48.18 18.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 t -67.65 -37.92 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -65.29 -39.67 92.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.121 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -69.31 -34.62 74.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.575 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.72 -47.93 70.81 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.817 0.303 . . . . 10.0 111.817 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.01 -35.9 66.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 121.201 0.524 . . . . 10.0 111.395 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -72.49 -32.32 66.1 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.979 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.45 -33.06 75.06 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.643 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.35 93.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.086 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' D' ' 62' ' ' SER . 43.4 mt -68.58 -51.12 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.373 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.47 -43.21 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.097 -0.502 . . . . 10.0 112.175 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -71.84 -18.51 62.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.956 0.408 . . . . 10.0 110.786 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.87 -27.61 62.01 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.387 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -75.17 74.26 2.31 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.343 -0.389 . . . . 10.0 112.006 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.46 -0.781 . . . . 10.0 111.281 179.379 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.73 0.3 . . . . 10.0 110.948 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.74 114.9 23.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.787 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 22.0 p -103.32 123.05 43.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.262 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.36 149.37 56.65 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.848 2.365 . . . . 10.0 112.71 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -76.19 114.37 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.048 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -140.41 128.69 22.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 10.0 111.579 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.26 164.56 31.51 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.957 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -65.94 -35.29 80.19 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.849 0.357 . . . . 10.0 111.405 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.03 -29.49 60.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.101 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.69 -34.93 67.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.449 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -71.62 -36.95 70.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.98 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.678 HG11 HG21 ' C' ' 64' ' ' THR . 8.2 p -74.65 -27.5 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 111.933 0.346 . . . . 10.0 111.933 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 63.6 m -69.8 -47.8 61.48 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.763 0.316 . . . . 10.0 110.693 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.56 -23.35 63.55 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.591 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -64.99 -41.16 95.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.666 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -77.33 -31.42 54.51 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.402 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -65.39 -42.64 92.43 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 8.4 m -76.29 -24.5 54.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.835 0.35 . . . . 10.0 111.188 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -36.08 75.65 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.956 -0.64 . . . . 10.0 112.772 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 30.6 m -111.06 30.91 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.73 0.3 . . . . 10.0 111.653 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.24 -18.73 63.91 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.883 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -108.96 -19.45 13.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.511 0.672 . . . . 10.0 109.846 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.4 ' O ' HG22 ' C' ' 27' ' ' VAL . 2.9 tm? -65.87 -34.31 77.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.226 -0.897 . . . . 10.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.07 -45.73 93.55 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -68.42 -26.26 65.44 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.737 0.303 . . . . 10.0 111.633 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -71.16 -26.86 63.17 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.568 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.4 HG22 ' O ' ' C' ' 23' ' ' LEU . 16.7 t -73.2 -45.15 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.82 0.343 . . . . 10.0 110.392 179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 34.4 p -68.17 -25.21 65.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.497 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.23 -49.31 61.57 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.019 0.437 . . . . 10.0 110.413 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.06 -25.09 65.18 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.282 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.65 -40.55 76.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.258 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.84 -32.09 73.48 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.424 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -71.58 -31.92 67.49 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.731 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.95 -24.6 43.83 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.542 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.04 -39.89 13.73 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.056 0.761 . . . . 10.0 113.056 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.93 24.55 5.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 114.193 1.183 . . . . 10.0 114.193 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 122.12 44.3 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.149 178.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.63 -73.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.028 2.486 . . . . 10.0 112.55 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -136.81 125.04 23.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.003 0.43 . . . . 10.0 110.751 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.13 98.38 12.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.031 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.9 -35.82 75.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.769 2.313 . . . . 10.0 112.679 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.28 47.28 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.46 -22.98 60.99 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 112.589 0.589 . . . . 10.0 112.589 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.76 -31.64 66.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.548 0.213 . . . . 10.0 111.416 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.8 75.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.813 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.81 63.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.335 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -71.65 -38.87 70.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.565 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -68.64 -40.41 80.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.843 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -69.04 -44.3 72.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.347 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -70.17 -30.1 67.16 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -51.78 58.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.448 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -67.36 -28.98 68.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.632 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.45 -36.47 73.72 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . 0.438 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 86.1 t80 -69.17 -36.97 77.93 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.219 -0.9 . . . . 10.0 109.48 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -71.68 -26.34 62.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.669 -0.696 . . . . 10.0 112.385 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -41.22 62.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -35.93 68.73 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.986 0.422 . . . . 10.0 110.92 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.685 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -73.07 -40.61 64.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.81 -179.469 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -75.99 -24.54 55.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.957 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.89 68.61 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.772 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -70.86 -43.2 68.93 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' C' ' 66' ' ' LYS . 27.8 p -70.53 -23.09 62.57 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -76.55 -38.75 54.53 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' THR . . . . . 0.678 HG21 HG11 ' C' ' 12' ' ' VAL . 4.6 m -64.4 -46.69 82.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.998 0.427 . . . . 10.0 110.039 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . 0.527 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 22.4 m -74.69 -13.66 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.699 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' C' ' 62' ' ' SER . 0.0 OUTLIER -78.27 -49.52 13.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.899 0.381 . . . . 10.0 110.682 179.629 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.91 -42.88 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.255 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.04 -45.25 93.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.851 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' C' ' 65' ' ' VAL . 0.0 OUTLIER -68.27 -34.05 75.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.884 0.698 . . . . 10.0 112.884 -179.522 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -48.62 77.82 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.766 0.284 . . . . 10.0 111.766 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 32.5 pt -74.68 -29.75 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.659 0.266 . . . . 10.0 111.476 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.53 -35.05 67.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.634 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.59 -27.36 63.08 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.808 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -43.86 74.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.206 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 59.7 mt -74.73 -43.06 47.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.58 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . 0.557 HG13 ' ND2' ' D' ' 63' ' ' ASN . 1.7 tp -62.22 -33.37 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.784 -0.644 . . . . 10.0 112.195 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.9 -18.28 35.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.92 0.39 . . . . 10.0 110.35 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . 0.453 ' C ' ' H ' ' C' ' 80' ' ' ARG . 0.1 OUTLIER -77.67 -11.81 59.91 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.862 178.564 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . 0.484 ' HD2' ' HA ' ' C' ' 76' ' ' ILE . 10.1 m-85 -72.0 28.91 0.05 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.399 -0.819 . . . . 10.0 112.276 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . 0.453 ' H ' ' C ' ' C' ' 78' ' ' ASN . 26.8 mtm180 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.343 -0.837 . . . . 10.0 110.714 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.761 0.315 . . . . 10.0 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.86 119.24 25.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 24.4 p -100.68 125.81 37.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.947 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.65 135.52 39.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.686 2.258 . . . . 10.0 112.382 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.46 111.52 10.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.619 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 23.9 p -147.38 146.98 29.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.579 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.34 170.95 37.24 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.007 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -66.5 -40.71 89.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.736 0.303 . . . . 10.0 111.665 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.441 ' H ' HD22 ' D' ' 9' ' ' LEU . 1.0 OUTLIER -74.43 -26.06 59.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.398 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -72.06 -35.92 69.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.355 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -71.12 -36.2 72.05 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.623 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -67.35 -38.23 80.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.952 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 69.4 m -65.72 -47.1 76.48 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.455 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.41 -24.29 64.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.53 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -68.72 -36.71 78.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.805 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . 0.437 ' O ' HG23 ' D' ' 20' ' ' VAL . 23.1 m-85 -76.4 -36.33 58.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.284 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.23 -44.33 88.57 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.196 -0.456 . . . . 10.0 112.221 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 14.4 m -76.6 -25.99 54.51 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.83 0.348 . . . . 10.0 111.008 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.73 82.27 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.083 -0.579 . . . . 10.0 113.033 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . 0.437 HG23 ' O ' ' D' ' 16' ' ' PHE . 35.8 m -111.68 31.73 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.952 0.406 . . . . 10.0 111.269 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.34 -21.89 66.75 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.713 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -101.35 -13.94 17.81 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.98 0.419 . . . . 10.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.28 -35.32 75.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.15 -43.12 99.37 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 14.5 t -71.58 -26.49 62.63 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -72.36 -30.54 64.81 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.625 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 64.7 t -73.41 -41.71 56.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.068 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 46.5 p -69.17 -25.65 64.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.219 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -69.32 -47.2 65.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.885 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.23 -23.74 63.92 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.314 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -68.18 -39.09 82.6 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.773 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -70.62 -39.07 73.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.138 -0.483 . . . . 10.0 112.221 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -71.58 -36.17 70.78 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.661 ' HB3' ' HZ3' ' B' ' 15' ' ' LYS . 0.5 OUTLIER -76.85 -24.4 52.67 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -178.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.56 -49.01 48.07 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.269 . . -103.89 25.38 9.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.488 1.292 . . . . 10.0 114.488 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -121.82 107.52 35.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 107.879 -1.156 . . . . 10.0 107.879 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.51 -74.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.693 2.262 . . . . 10.0 113.458 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' SER . . . . . 0.415 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 12.5 m -100.13 130.81 46.31 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 29.1 m-20 -132.0 105.08 13.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 113.75 1.018 . . . . 10.0 113.75 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.438 ' HB2' ' HH ' ' C' ' 54' ' ' TYR . 41.0 Cg_endo -70.04 -51.75 0.34 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 120.931 1.088 . . . . 10.0 111.644 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.28 6.8 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 113.505 0.928 . . . . 10.0 113.505 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.06 -27.28 65.37 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.474 HD12 HD11 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -82.74 -31.06 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.601 0.593 . . . . 10.0 112.601 -179.62 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.34 -35.81 80.14 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.763 0.316 . . . . 10.0 110.874 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.35 -43.41 60.75 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.947 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.77 -32.65 74.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.386 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -65.0 -52.65 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.519 -0.764 . . . . 10.0 112.782 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 46.8 m -64.96 -38.1 89.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -72.29 -26.54 62.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 114.352 1.242 . . . . 10.0 114.352 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -39.74 66.23 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.075 -0.65 . . . . 10.0 109.365 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -69.18 -28.66 66.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.72 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.43 -37.48 87.46 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -69.9 -32.01 70.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.997 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -75.75 -23.4 56.0 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.094 -0.957 . . . . 10.0 112.038 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.02 -41.32 62.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -30.66 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 10.0 111.204 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -40.92 47.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.267 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.71 -40.92 32.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.605 0.594 . . . . 10.0 112.605 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.15 90.0 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.726 0.269 . . . . 10.0 111.726 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.73 -37.74 82.61 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 62' ' ' SER . . . . . 0.435 ' HB2' HG12 ' B' ' 75' ' ' ILE . 38.8 t -70.3 -28.14 64.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.353 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . 0.557 ' ND2' HG13 ' C' ' 76' ' ' ILE . 84.5 m-20 -76.65 -37.69 55.84 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 20.0 p -63.72 -39.99 95.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.899 0.381 . . . . 10.0 110.661 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 15.2 t -77.61 -25.17 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.419 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -66.61 -47.79 71.56 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.614 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 40.4 t -64.77 -48.71 83.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.214 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.35 -46.12 89.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.366 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -62.99 -34.68 78.07 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -47.84 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 32.7 pt -72.02 -32.6 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -72.28 -33.27 67.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.459 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.36 -31.29 71.44 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.686 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.96 -38.23 79.29 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.702 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.34 -45.54 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.107 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 98.6 mt -61.53 -36.29 72.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -78.98 -16.46 56.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.837 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' D' ' 80' ' ' ARG . 0.1 OUTLIER -76.47 -20.8 56.62 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.35 178.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -77.8 29.82 0.16 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.628 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' D' ' 78' ' ' ASN . 44.6 ttp180 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.174 -0.917 . . . . 10.0 111.04 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.736 0.303 . . . . 10.0 110.965 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.58 140.42 29.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.062 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 p -97.29 126.48 41.7 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.244 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -70.13 142.94 47.57 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.724 2.283 . . . . 10.0 112.845 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -72.42 110.81 7.09 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.404 -0.817 . . . . 10.0 110.297 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -158.69 115.53 2.77 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.9 165.43 30.62 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 115.485 0.954 . . . . 10.0 115.485 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -39.32 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.269 -0.965 . . . . 10.0 109.583 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -29.16 59.24 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.341 -0.845 . . . . 10.0 111.526 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.91 -39.14 90.3 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.607 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -74.63 -35.94 62.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.371 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.38 -41.94 89.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.618 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.8 m -67.18 -42.2 84.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.24 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -23.02 62.12 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.259 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -67.2 -43.67 81.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.878 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -73.7 -27.5 61.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.288 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -63.61 -48.44 77.33 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -71.52 -23.58 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 10.0 110.171 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.53 -40.66 90.88 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.579 -0.737 . . . . 10.0 113.295 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 m -114.91 31.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.388 . . . . 10.0 111.504 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.04 -45.46 85.33 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -91.43 -14.61 30.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.402 0.62 . . . . 10.0 110.129 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 27' ' ' VAL . 2.9 tm? -66.73 -38.78 87.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.354 -0.839 . . . . 10.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -63.75 -36.73 84.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 t -72.99 -26.4 61.33 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.798 0.332 . . . . 10.0 111.021 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -74.35 -24.26 59.14 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.613 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 23' ' ' LEU . 58.2 t -71.24 -46.52 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.045 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.5 p -70.32 -29.04 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.419 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -70.35 -41.06 73.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.015 0.436 . . . . 10.0 110.218 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.89 -24.25 52.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.298 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.419 HD12 ' HH ' ' A' ' 47' ' ' TYR . 55.7 tp -67.91 -43.65 78.74 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.611 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.81 -31.14 67.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.247 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -66.95 -38.78 86.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.266 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.89 -39.13 69.79 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.195 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.13 -19.98 59.63 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.75 -8.82 42.69 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -118.67 136.45 24.16 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.752 -0.204 . . . . 10.0 110.948 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -57.72 -69.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.014 2.476 . . . . 10.0 111.866 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 p -133.51 123.51 25.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.329 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.04 94.54 11.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.757 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -63.34 -32.88 71.99 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.482 2.121 . . . . 10.0 112.58 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.39 -45.64 37.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.246 -0.434 . . . . 10.0 112.119 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.49 -22.12 61.1 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.794 0.294 . . . . 10.0 111.794 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.79 -33.5 66.3 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.543 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.03 88.84 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.34 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.15 64.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.659 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.419 ' HH ' HD12 ' A' ' 31' ' ' LEU . 64.8 t80 -72.38 -41.33 66.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.478 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -66.75 -33.94 76.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.37 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.9 m -76.08 -41.18 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.489 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -74.75 -27.52 60.38 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.16 -35.14 61.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.978 0.418 . . . . 10.0 110.316 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.3 p -74.57 -29.14 61.23 Favored 'General case' 0 C--O 1.23 0.048 0 CA-C-N 115.866 -0.607 . . . . 10.0 110.406 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.62 -36.85 83.58 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.088 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -68.71 -35.48 77.22 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.729 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -65.6 -43.61 89.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.038 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.32 -28.65 65.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.585 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.53 -58.3 6.76 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.843 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -70.03 -20.39 63.26 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -74.29 -35.44 63.71 Favored 'General case' 0 C--N 1.334 -0.09 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.6 63.91 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.345 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -69.05 -42.76 75.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.625 -0.716 . . . . 10.0 111.705 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.0 p -71.37 -28.24 63.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.048 0.388 . . . . 10.0 112.048 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.8 -37.73 62.28 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 p -69.91 -47.54 62.09 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.924 0.713 . . . . 10.0 112.924 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -72.86 -20.6 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -77.91 -48.47 16.26 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 111.824 0.305 . . . . 10.0 111.824 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.5 t -73.98 -42.61 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -58.98 -40.6 85.31 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 111.633 0.234 . . . . 10.0 111.633 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -34.68 67.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.29 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.53 -41.04 98.6 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.595 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 67' ' ' VAL . 1.4 mt -64.59 -47.29 89.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 178.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.515 ' O ' HG12 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -60.15 -26.98 66.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 113.898 -1.501 . . . . 10.0 113.578 -178.802 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.34 -36.44 61.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.946 0.403 . . . . 10.0 110.238 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -45.01 69.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.696 -0.684 . . . . 10.0 112.09 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.507 HD11 ' HA ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -60.05 -43.95 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 -178.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 72' ' ' ASP . 12.4 pt -74.02 -24.32 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -69.41 -23.83 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -74.58 -35.92 63.02 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 115.366 -0.833 . . . . 10.0 109.578 177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.647 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 3.5 m-85 -71.73 129.78 39.52 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 107.649 -1.241 . . . . 10.0 107.649 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.537 ' O ' ' HA ' ' B' ' 63' ' ' ASN . 7.8 tpt180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.01 -0.995 . . . . 10.0 112.176 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.718 0.294 . . . . 10.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.01 144.64 26.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.058 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m -97.22 120.77 60.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.43 136.81 37.86 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.653 2.236 . . . . 10.0 112.442 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -68.59 113.88 6.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.482 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 9.4 p -156.48 109.77 2.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.566 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.77 162.02 38.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.85 -0.691 . . . . 10.0 113.05 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -45.55 78.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.693 0.282 . . . . 10.0 111.273 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -21.79 59.22 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.651 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.88 -40.12 94.62 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.666 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.82 -36.4 62.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.646 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.74 -46.53 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.176 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -66.14 -37.95 86.93 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.397 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.92 -22.93 62.18 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' D' ' 32' ' ' ASP . 0.3 OUTLIER -69.44 -43.53 73.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.415 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -71.96 -27.76 62.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.075 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.26 -52.91 62.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.452 -0.795 . . . . 10.0 112.288 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -71.86 -22.1 61.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.45 -51.01 60.66 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 114.807 -1.088 . . . . 10.0 114.645 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.541 HG13 HD21 ' B' ' 23' ' ' LEU . 30.9 m -112.35 26.09 3.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.938 0.399 . . . . 10.0 110.918 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.24 -28.96 70.09 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.899 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.421 ' O ' HG23 ' B' ' 25' ' ' THR . 8.8 t-20 -100.51 -31.97 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.567 ' O ' HG22 ' B' ' 27' ' ' VAL 0.282 2.8 pp -70.61 -21.7 62.62 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -62.4 -41.32 98.57 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.676 0.274 . . . . 10.0 110.842 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.421 HG23 ' O ' ' B' ' 22' ' ' ASN . 9.4 t -73.67 -26.08 60.56 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.982 0.42 . . . . 10.0 110.015 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -72.44 -24.47 61.22 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.442 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.567 HG22 ' O ' ' B' ' 23' ' ' LEU . 98.2 t -72.58 -45.69 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.3 p -69.37 -27.15 65.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.734 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -74.51 -39.01 62.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.075 -0.511 . . . . 10.0 109.807 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.95 -24.26 52.37 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.122 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -68.63 -44.15 74.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.021 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.7 -30.93 67.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.676 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -65.6 -39.68 91.84 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.637 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.58 -39.12 74.05 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.01 -16.03 60.03 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.629 0.603 . . . . 10.0 112.629 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.34 -20.07 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.181 0.437 . . . . 10.0 112.181 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -110.24 143.83 28.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.933 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.09 -69.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.725 2.283 . . . . 10.0 111.106 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.1 p -135.16 124.47 24.68 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.84 95.98 11.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 111.973 0.361 . . . . 10.0 111.973 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.74 -30.98 69.42 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.687 2.258 . . . . 10.0 112.188 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.11 -49.31 29.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.964 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.98 -21.81 60.79 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.068 0.396 . . . . 10.0 112.068 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.45 -35.3 65.72 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.709 0.29 . . . . 10.0 110.25 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.86 -36.42 82.27 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.0 -34.07 64.04 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.417 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -72.09 -38.22 69.41 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.05 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -66.48 -37.1 84.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.17 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 49.7 m -74.03 -38.5 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.359 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -75.92 -33.87 59.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.932 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 tp -68.63 -36.51 78.71 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 95.0 p -73.71 -28.19 61.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.407 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.51 -35.23 78.72 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.854 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -66.53 -33.7 76.26 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 49.5 t30 -70.02 -28.5 65.54 Favored 'General case' 0 C--O 1.228 -0.076 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.306 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.43 HD13 ' O ' ' D' ' 38' ' ' PRO . 0.2 OUTLIER -72.2 -31.49 65.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.143 -0.935 . . . . 10.0 110.591 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -70.91 -56.11 6.95 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.591 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -67.59 -25.27 65.69 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 113.166 0.802 . . . . 10.0 113.166 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 1.4 m-80 -75.54 -50.94 14.12 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.797 0.295 . . . . 10.0 111.797 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.88 73.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.644 0.259 . . . . 10.0 110.547 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -65.84 -42.46 90.49 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.581 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 15.9 t -70.92 -33.21 70.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.657 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.647 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 82.3 m-20 -73.45 -41.23 63.47 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 39.6 p -68.85 -48.66 62.92 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.81 -31.49 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -67.11 -48.27 68.65 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.54 0.57 . . . . 10.0 112.54 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.464 ' O ' HG12 ' B' ' 71' ' ' ILE . 20.4 t -66.85 -44.39 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -59.74 -44.21 93.88 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -71.41 -36.14 71.25 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.3 -44.07 84.51 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.929 0.395 . . . . 10.0 110.97 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 67' ' ' VAL . 8.6 mm -66.06 -43.83 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.74 -31.65 72.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.754 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.78 -30.89 68.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.222 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.74 -40.67 76.04 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 42.8 pt -69.69 -31.45 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.2 -33.67 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 10.0 110.027 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -70.59 -25.64 63.16 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.405 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -73.76 -30.55 62.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.172 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -82.76 132.6 35.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.052 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.13 -0.938 . . . . 10.0 111.272 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.768 0.318 . . . . 10.0 111.216 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.74 146.44 24.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.208 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -102.3 133.78 20.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.255 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.64 155.01 35.33 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.788 2.325 . . . . 10.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -71.87 110.73 6.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.628 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 22.7 p -159.7 117.0 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.355 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.79 169.85 20.49 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.647 -0.787 . . . . 10.0 113.083 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -34.41 77.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.096 0.474 . . . . 10.0 110.48 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.508 HD11 HG13 ' C' ' 65' ' ' VAL . 21.5 tp -71.97 -33.62 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.759 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.89 -39.14 93.07 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.39 -40.09 67.51 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.415 0.524 . . . . 10.0 112.415 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.794 HG11 HG21 ' C' ' 64' ' ' THR . 65.2 t -67.29 -43.14 88.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -63.32 -44.5 94.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.578 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.66 -22.95 62.43 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.392 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -64.88 -42.65 94.62 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.889 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -77.59 -28.45 51.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.796 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -64.91 -39.79 94.07 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -76.86 -25.5 53.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.931 0.396 . . . . 10.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.44 -36.39 62.93 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 121.02 -0.61 . . . . 10.0 112.653 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -109.37 25.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.66 0.267 . . . . 10.0 111.593 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.36 -45.67 93.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.252 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -95.04 -10.66 30.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.203 0.525 . . . . 10.0 110.55 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.26 -38.52 78.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.547 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -65.17 -35.44 81.09 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.7 t -73.15 -26.7 61.3 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.044 -0.262 . . . . 10.0 111.001 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -76.38 -24.3 54.11 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.273 -0.422 . . . . 10.0 109.87 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.82 -45.33 81.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.345 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -73.97 -28.02 61.28 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.214 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.22 -42.63 75.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.196 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.07 51.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.478 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . 0.746 HD12 ' HH ' ' C' ' 47' ' ' TYR . 26.3 tp -66.65 -46.71 74.88 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.803 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.11 -30.66 66.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.175 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -59.73 -48.1 83.02 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.677 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -75.76 -34.81 60.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.503 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.4 -33.98 75.83 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.011 0.745 . . . . 10.0 113.011 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.35 20.97 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -127.4 129.88 23.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.366 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -46.73 -72.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.728 2.952 . . . . 10.0 113.077 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 18.0 p -149.5 125.06 10.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.679 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.45 100.98 9.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.516 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -63.69 -30.85 69.82 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.287 1.991 . . . . 10.0 112.27 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.31 -46.61 32.35 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.143 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.67 -22.34 60.93 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 46.9 tp -71.5 -33.45 69.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.86 0.362 . . . . 10.0 110.585 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.68 78.55 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.363 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.25 64.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.999 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . 0.746 ' HH ' HD12 ' C' ' 31' ' ' LEU . 67.8 t80 -72.11 -40.46 68.12 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.24 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -67.64 -36.5 80.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.252 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -73.34 -39.09 65.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.505 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -74.23 -29.01 61.51 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tp -74.46 -34.5 63.16 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.67 0.272 . . . . 10.0 111.21 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -74.99 -29.53 60.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.508 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.37 -36.52 83.99 Favored 'General case' 0 C--O 1.231 0.085 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . 0.482 ' HH ' ' HG2' ' D' ' 41' ' ' PRO . 74.9 t80 -70.07 -34.13 72.81 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.353 -0.84 . . . . 10.0 110.032 178.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -66.15 -51.74 54.95 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -68.19 -28.81 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . 0.411 ' HH ' ' NH2' ' C' ' 58' ' ' ARG . 1.2 t80 -67.37 -48.89 66.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.071 0.462 . . . . 10.0 110.579 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.733 ' HE ' ' HA ' ' D' ' 42' ' ' ALA . 3.9 mmt-85 -65.31 -38.61 90.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.945 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -69.11 -28.06 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.764 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.0 -33.98 68.51 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.916 0.388 . . . . 10.0 110.006 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -67.19 -44.73 78.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.004 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 32.4 p -70.96 -26.77 63.31 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -72.19 -45.86 58.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.595 -0.275 . . . . 10.0 111.651 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' THR . . . . . 0.794 HG21 HG11 ' C' ' 12' ' ' VAL . 2.1 m -67.37 -45.92 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.084 0.401 . . . . 10.0 112.084 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . 0.508 HG13 HD11 ' C' ' 9' ' ' LEU . 8.9 m -65.46 -28.85 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -82.76 -38.35 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.786 0.291 . . . . 10.0 111.786 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . 0.426 ' O ' HG13 ' C' ' 71' ' ' ILE . 72.4 t -70.83 -51.95 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -63.57 -38.39 90.94 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.034 0.753 . . . . 10.0 113.034 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -70.62 -34.71 72.4 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.739 -0.385 . . . . 10.0 111.698 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -34.01 77.16 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.892 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . 0.426 HG13 ' O ' ' C' ' 67' ' ' VAL . 64.1 mt -69.75 -44.38 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.075 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -64.77 -27.79 69.13 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.618 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.4 68.97 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.776 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.9 -44.13 61.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.441 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 13.8 mt -66.86 -38.35 81.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.009 0.433 . . . . 10.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 tp -66.69 -33.75 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.126 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -75.74 -23.89 56.08 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.288 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -71.24 -31.33 67.42 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -82.3 127.27 33.05 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.168 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.165 -0.921 . . . . 10.0 111.158 179.772 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.799 0.333 . . . . 10.0 111.159 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.71 142.47 27.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.036 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -95.34 120.64 63.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.25 138.8 44.13 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.677 2.251 . . . . 10.0 112.278 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -68.38 113.43 5.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.425 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 12.3 p -154.69 112.58 3.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.72 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.01 158.55 33.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.869 -0.681 . . . . 10.0 112.992 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.88 -48.27 69.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.687 0.28 . . . . 10.0 111.223 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -74.43 -22.3 59.2 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.701 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.64 -40.22 92.29 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.13 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.6 -36.48 62.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.175 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.24 -44.28 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.44 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 70.4 m -65.42 -44.22 88.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.373 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.4 65.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.548 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -39.22 78.19 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.48 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -76.41 -28.83 56.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.27 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -64.93 -45.31 86.34 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.429 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 5.5 m -78.47 -26.04 45.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.349 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.18 -38.67 95.49 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 121.106 -0.569 . . . . 10.0 113.048 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.99 32.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.963 0.411 . . . . 10.0 111.247 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.09 -45.08 95.1 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.915 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -82.14 -13.6 56.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.419 . . . . 10.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -70.88 -27.49 63.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.052 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -61.38 -47.19 86.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.229 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -72.12 -26.01 61.95 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.658 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -71.81 -30.29 65.35 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.409 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.66 -44.11 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.546 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 37.4 p -70.53 -27.37 64.11 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.442 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -71.06 -42.11 69.87 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.973 0.416 . . . . 10.0 110.33 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.94 -23.89 58.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.821 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.537 HD12 ' HH ' ' D' ' 47' ' ' TYR . 51.8 tp -70.78 -38.57 73.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.154 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' B' ' 15' ' ' LYS . 0.8 OUTLIER -70.52 -41.83 72.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.381 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -24.67 61.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.439 0.533 . . . . 10.0 112.439 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.66 -53.05 14.84 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.549 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.61 -12.68 60.26 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.359 . . -98.35 8.72 44.46 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -136.62 108.3 9.26 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 114.15 -1.386 . . . . 10.0 107.364 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . 0.43 ' O ' HD13 ' B' ' 56' ' ' LEU . 97.5 Cg_exo -48.11 -74.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.155 2.57 . . . . 10.0 114.02 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -99.88 121.83 41.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -142.1 89.29 8.79 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 115.471 1.656 . . . . 10.0 115.471 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.482 ' HG2' ' HH ' ' C' ' 54' ' ' TYR . 17.8 Cg_endo -64.75 -45.28 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.817 1.678 . . . . 10.0 111.966 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.733 ' HA ' ' HE ' ' C' ' 58' ' ' ARG . . . -74.53 -51.05 15.78 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.36 -25.68 68.4 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -30.94 65.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.29 -39.54 64.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.912 0.387 . . . . 10.0 110.589 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.59 -35.87 68.02 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.39 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . 0.537 ' HH ' HD12 ' D' ' 31' ' ' LEU . 31.1 t80 -65.43 -44.96 85.7 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -68.53 -35.79 77.94 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 60.6 m -76.07 -41.44 50.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -77.83 -28.92 50.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 tp -72.2 -37.0 69.36 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.868 0.366 . . . . 10.0 110.303 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 83.7 p -73.87 -29.56 62.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.408 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -65.84 -37.09 85.29 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -69.23 -34.39 74.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.337 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -63.94 -49.44 72.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.923 -1.035 . . . . 10.0 111.826 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.42 -27.1 65.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.07 0.767 . . . . 10.0 113.07 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.65 -49.22 74.09 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.641 0.258 . . . . 10.0 111.587 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -70.53 -30.83 67.68 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -73.95 -37.0 64.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 10.0 111.114 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.68 -29.62 63.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.77 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -70.03 -39.33 75.84 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.175 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 32.7 p -71.59 -27.61 63.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.029 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -75.83 -37.44 59.04 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 7.9 p -69.14 -42.09 76.45 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 12.9 p -77.06 -22.08 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 29.9 tptp -80.6 -40.88 24.93 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.985 0.365 . . . . 10.0 111.985 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 8.9 p -76.04 -33.34 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.79 -36.06 62.49 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.8 0.333 . . . . 10.0 111.556 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -73.16 -35.0 66.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 10.0 112.084 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.39 -47.92 77.37 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.907 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 15.6 tt -67.69 -37.45 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.869 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -69.0 -34.85 75.95 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.448 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.78 -32.87 74.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.391 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.69 -37.6 79.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.316 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 17.1 mt -64.86 -40.04 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.245 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 21.7 mt -67.65 -31.52 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.267 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -69.72 -28.55 65.92 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.304 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -74.95 -30.53 61.24 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.45 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -80.12 123.87 28.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.302 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.154 -0.927 . . . . 10.0 111.275 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.733 0.302 . . . . 10.0 111.05 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.89 102.72 11.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.837 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.1 m -127.53 119.38 21.65 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.741 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.0 154.32 75.01 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.766 2.311 . . . . 10.0 112.067 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.91 112.05 11.93 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.588 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -154.74 152.11 29.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.198 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.03 -175.22 36.94 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.813 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -67.89 -40.48 83.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.429 -0.385 . . . . 10.0 110.599 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.687 HD11 HG13 ' A' ' 65' ' ' VAL . 16.1 tp -71.15 -33.86 70.44 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.453 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -71.93 -27.85 63.08 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.429 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.84 -40.59 68.94 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.87 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.06 -36.15 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.016 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.3 t -66.45 -46.42 76.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.545 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.51 61.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.245 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -62.32 -46.84 86.92 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.033 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 20' ' ' VAL . 43.8 m-85 -72.23 -32.51 66.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.134 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -65.57 -51.32 60.65 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -69.89 -23.34 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.245 0.545 . . . . 10.0 109.748 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.59 -43.31 52.88 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.431 -0.804 . . . . 10.0 112.527 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 34.3 m -106.04 31.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.767 0.318 . . . . 10.0 111.429 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.02 -50.53 73.37 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.262 -0.427 . . . . 10.0 111.189 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -81.68 -15.79 53.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.194 0.521 . . . . 10.0 110.501 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.0 tm? -71.26 -39.99 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.314 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.12 -39.28 94.24 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.136 -0.484 . . . . 10.0 112.104 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.0 t -71.83 -25.8 62.12 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.576 -0.283 . . . . 10.0 111.19 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -73.58 -28.05 61.63 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.965 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 23' ' ' LEU . 39.6 t -69.93 -45.5 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-O 120.974 0.416 . . . . 10.0 110.04 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.6 p -73.95 -29.67 62.13 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.627 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -67.84 -41.88 82.26 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.032 0.444 . . . . 10.0 110.152 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.14 -23.82 54.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.888 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 tp -70.84 -40.55 72.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.412 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -70.27 -31.37 68.7 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.648 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 81.5 mttt -68.38 -44.32 75.38 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.967 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -25.82 68.2 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.88 -18.36 63.41 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.3 6.3 10.7 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.906 0.336 . . . . 10.0 111.906 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 45.2 mmtm -113.41 119.81 41.13 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-N 116.695 -0.23 . . . . 10.0 111.567 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.84 -66.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.935 2.424 . . . . 10.0 111.14 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 p -120.86 125.2 46.91 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.775 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -136.89 97.45 11.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 112.753 0.649 . . . . 10.0 112.753 -178.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.65 -43.63 9.73 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.578 2.185 . . . . 10.0 112.165 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.24 -39.79 53.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.155 -0.475 . . . . 10.0 112.055 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.775 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.2 mm? -71.74 -20.37 61.9 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -71.1 -41.04 71.13 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.014 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.12 -30.88 68.18 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.476 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.8 -45.0 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.986 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -71.8 -36.25 70.23 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 111.821 0.304 . . . . 10.0 111.821 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -40.84 97.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.5 t -75.04 -41.39 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.401 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -69.09 -34.78 75.65 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.588 0.588 . . . . 10.0 112.588 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.03 -35.59 61.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.825 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.8 p -72.21 -32.33 66.66 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.913 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.48 -36.15 78.53 Favored 'General case' 0 C--N 1.333 -0.118 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -64.69 -31.01 72.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.341 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -66.31 -43.51 86.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.185 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.05 -28.77 63.56 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.396 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.01 -50.98 66.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.806 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -30.64 69.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.384 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.87 -32.02 65.12 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.351 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.92 -37.63 70.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.807 0.336 . . . . 10.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -72.95 -39.7 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.394 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.4 p -71.24 -30.53 66.44 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -75.02 -35.51 61.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.087 0.403 . . . . 10.0 112.087 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 p -70.12 -38.67 75.65 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 9' ' ' LEU . 28.6 m -75.8 -22.15 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.732 0.301 . . . . 10.0 111.038 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.481 ' HE2' ' HA ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -75.48 -48.3 23.27 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -179.385 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.61 -36.36 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -67.54 -34.25 76.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.455 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -74.3 -34.81 63.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.616 0.599 . . . . 10.0 112.616 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -60.74 -49.12 78.79 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 123.187 0.305 . . . . 10.0 110.85 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.634 HD11 HH11 ' C' ' 58' ' ' ARG . 0.1 OUTLIER -61.39 -36.95 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.718 ' HA ' HD13 ' A' ' 75' ' ' ILE . 6.2 t70 -67.64 -25.74 65.88 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.07 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.052 0.453 . . . . 10.0 109.869 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.7 64.27 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.545 0.688 . . . . 10.0 109.439 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.718 HD13 ' HA ' ' A' ' 72' ' ' ASP . 1.6 mt -57.97 -55.83 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 114.331 -1.304 . . . . 10.0 111.915 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 72' ' ' ASP 0.254 2.0 pp -76.38 -14.67 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 114.339 1.237 . . . . 10.0 114.339 -178.741 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -36.27 75.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.812 0.671 . . . . 10.0 112.812 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -92.99 -17.65 23.65 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.089 0.471 . . . . 10.0 110.989 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.675 ' HE1' ' CD2' ' D' ' 47' ' ' TYR . 0.6 OUTLIER -76.94 154.48 33.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.981 179.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.69 ' HD3' HD21 ' D' ' 51' ' ' LEU . 2.9 ttt180 . . . . . 0 N--CA 1.443 -0.808 0 CA-C-O 117.592 -1.194 . . . . 10.0 109.075 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.7 0.286 . . . . 10.0 111.061 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.66 104.33 13.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.725 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.7 m -127.2 121.77 22.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.956 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.93 147.58 85.04 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.72 2.28 . . . . 10.0 111.77 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.4 111.57 9.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.453 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 24.2 p -155.04 150.45 27.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.2 -174.09 29.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.304 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -67.21 -44.55 79.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.593 0.235 . . . . 10.0 111.259 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -31.05 67.84 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.951 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -72.24 -28.56 63.23 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.618 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.55 -43.76 65.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.796 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.752 HG11 HG21 ' B' ' 64' ' ' THR . 12.0 t -68.75 -32.11 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.765 0.317 . . . . 10.0 111.192 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.0 t -66.93 -45.51 77.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.325 -0.398 . . . . 10.0 109.989 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.19 -22.11 60.53 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.808 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -62.39 -44.79 95.61 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.918 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.451 ' O ' HG23 ' B' ' 20' ' ' VAL . 33.7 m-85 -75.8 -32.23 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.025 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.0 -51.73 55.75 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 10.0 m -68.36 -23.27 64.66 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.596 -0.891 . . . . 10.0 108.596 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.21 -51.17 23.85 Favored Glycine 0 N--CA 1.438 -1.178 0 CA-C-N 114.789 -1.096 . . . . 10.0 112.408 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.485 ' HB ' ' HB3' ' B' ' 23' ' ' LEU . 35.7 m -97.17 31.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 10.0 111.783 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.78 -49.2 78.46 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.032 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -83.84 -15.97 46.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.171 0.51 . . . . 10.0 110.478 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.485 ' HB3' ' HB ' ' B' ' 20' ' ' VAL . 1.8 tm? -71.64 -40.05 69.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.621 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -60.72 -40.54 92.72 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.944 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.4 t -73.19 -25.75 60.9 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.325 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -73.26 -28.05 61.91 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.209 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.405 HG22 ' O ' ' B' ' 23' ' ' LEU . 44.7 t -72.18 -44.97 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.882 0.372 . . . . 10.0 110.168 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.9 p -72.45 -28.75 63.13 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.103 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -68.87 -40.84 79.06 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.04 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.35 -24.14 54.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.859 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 38.9 tp -72.28 -40.63 67.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.526 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -70.14 -31.29 68.73 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.53 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -69.32 -38.96 78.46 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.765 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -26.22 66.79 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.18 -0.464 . . . . 10.0 112.076 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.42 -12.27 60.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.405 -0.362 . . . . 10.0 111.381 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.32 6.2 11.18 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.59 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -118.67 121.06 31.11 Favored Pre-proline 0 C--N 1.332 -0.184 0 N-CA-C 111.721 0.267 . . . . 10.0 111.721 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.49 -53.63 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.901 2.401 . . . . 10.0 110.992 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 36.5 p -135.11 124.58 24.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.363 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.663 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -137.24 96.96 10.93 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -179.164 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.32 -41.33 16.26 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.606 2.204 . . . . 10.0 112.229 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.74 -41.49 53.15 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.057 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.663 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.7 mm? -71.8 -20.59 61.83 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.877 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' B' ' 40' ' ' ASP . 1.5 tt -72.63 -40.35 66.5 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.08 -31.27 65.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.445 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.44 62.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.664 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -70.83 -33.74 70.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.069 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -40.41 95.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.809 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 42.3 t -76.01 -38.91 56.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -70.71 -39.42 73.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.0 tp -72.29 -32.41 66.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.03 0.443 . . . . 10.0 110.304 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 59.7 p -74.43 -29.23 61.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.301 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.495 ' HA ' HD22 ' B' ' 56' ' ' LEU . 51.3 mt-10 -72.3 -35.02 68.57 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 177.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.14 -30.01 70.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.584 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.65 -45.19 83.9 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.307 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' B' ' 53' ' ' GLU . 0.6 OUTLIER -69.72 -28.83 66.15 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.874 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.3 -52.65 61.08 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.59 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -25.64 64.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.012 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -77.34 -30.68 54.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.998 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.67 -52.2 27.82 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -59.01 -43.87 91.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.292 -0.867 . . . . 10.0 111.858 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 88.3 p -63.97 -43.88 94.44 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 13.6 m-80 -71.08 -33.39 70.17 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.295 0.48 . . . . 10.0 112.295 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.752 HG21 HG11 ' B' ' 12' ' ' VAL . 16.9 m -65.91 -50.33 64.81 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.835 0.35 . . . . 10.0 111.281 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 m -73.15 -14.08 16.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -75.21 -51.28 13.71 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.509 ' HB ' ' HD2' ' A' ' 80' ' ' ARG 0.264 96.6 t -81.63 -28.15 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 113.433 0.901 . . . . 10.0 113.433 -179.307 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -70.02 -36.86 75.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.63 0.252 . . . . 10.0 110.655 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.742 ' HE2' ' HA ' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -73.03 -35.2 66.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.536 179.258 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -64.71 -48.73 73.58 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.964 0.411 . . . . 10.0 111.037 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.463 ' O ' HG13 ' B' ' 75' ' ' ILE . 10.7 tp -65.73 -30.56 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.353 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . 0.525 ' HA ' HD13 ' B' ' 75' ' ' ILE . 32.9 t70 -72.5 -29.5 63.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.636 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.02 95.34 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.0 -32.24 73.34 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.873 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' B' ' 72' ' ' ASP . 59.2 mt -60.7 -49.58 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.099 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.43 -27.03 41.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.869 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.63 -35.99 79.96 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -98.93 0.72 44.63 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.947 0.403 . . . . 10.0 111.633 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -113.65 144.08 43.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.548 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.149 -0.929 . . . . 10.0 111.526 179.706 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.8 0.334 . . . . 10.0 110.978 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.64 101.82 11.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.737 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 21.4 m -132.04 121.13 17.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.842 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.58 162.09 43.29 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.691 2.26 . . . . 10.0 111.758 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.76 110.49 9.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.731 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -144.09 152.81 41.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.003 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.93 -177.64 43.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.657 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.87 -39.21 87.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.836 0.351 . . . . 10.0 110.671 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.85 -32.61 71.08 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.324 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.02 -29.47 65.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.015 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.19 -37.52 69.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.317 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 29.3 t -70.31 -39.29 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.422 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -65.18 -45.42 84.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.514 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.21 -22.62 61.99 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.166 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -61.78 -45.02 95.69 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.632 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . 0.497 ' O ' HG23 ' C' ' 20' ' ' VAL . 59.5 m-85 -77.1 -32.82 56.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.71 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -64.2 -44.16 92.83 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -76.18 -26.3 56.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.893 0.377 . . . . 10.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.82 -40.03 64.7 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.047 -0.596 . . . . 10.0 112.554 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.497 HG23 ' O ' ' C' ' 16' ' ' PHE . 33.8 m -105.22 30.65 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-O 120.791 0.329 . . . . 10.0 111.557 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.84 -54.34 46.28 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.026 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . 0.431 ' O ' HG23 ' C' ' 25' ' ' THR . 7.5 t-20 -82.4 -15.62 52.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.275 0.559 . . . . 10.0 110.402 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.72 -40.44 72.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.228 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.31 -36.05 82.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.814 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.431 HG23 ' O ' ' C' ' 22' ' ' ASN . 5.5 t -71.48 -25.96 62.5 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.119 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -75.39 -26.19 58.25 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.617 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.87 -44.66 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.111 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.851 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 36.9 p -77.28 -27.25 53.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.564 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.85 -43.4 79.59 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.935 0.398 . . . . 10.0 110.441 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.3 -24.06 50.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.434 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . 0.432 HD12 ' HH ' ' C' ' 47' ' ' TYR . 22.4 tp -70.64 -40.59 72.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.126 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.83 -30.7 67.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.827 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' C' ' 37' ' ' LYS . 81.4 mttt -68.36 -48.72 64.04 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.789 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -25.35 67.2 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.028 -0.533 . . . . 10.0 112.258 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.93 -31.32 66.71 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.24 24.82 5.89 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 113.416 0.895 . . . . 10.0 113.416 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' C' ' 33' ' ' LYS . 35.9 mmtm -114.97 111.95 44.93 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.115 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -60.05 -68.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.778 2.319 . . . . 10.0 112.659 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 37.1 p -128.14 124.52 37.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.331 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . 0.564 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.4 OUTLIER -137.19 98.86 10.09 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.882 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.34 -38.67 25.53 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.628 2.219 . . . . 10.0 112.306 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.03 -41.93 49.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.924 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.2 mm? -72.46 -20.64 61.36 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.82 -39.4 80.04 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.678 0.275 . . . . 10.0 110.479 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.03 -30.64 62.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.458 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.24 -42.55 65.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.056 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . 0.432 ' HH ' HD12 ' C' ' 31' ' ' LEU . 43.3 t80 -71.41 -34.92 70.77 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.183 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -66.06 -39.93 90.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.86 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.3 t -74.64 -39.15 62.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.55 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -69.84 -35.85 75.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 tp -75.32 -34.39 61.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.257 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 91.3 p -75.32 -29.9 60.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.036 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.76 -35.87 79.49 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 107.893 -1.151 . . . . 10.0 107.893 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . 0.786 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 14.4 t80 -66.37 -26.66 67.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 114.322 -1.308 . . . . 10.0 108.949 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -65.1 -50.13 67.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.922 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.92 -26.62 60.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -59.79 -54.11 50.06 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.634 HH11 HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -69.68 -33.58 72.75 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 111.777 0.288 . . . . 10.0 111.777 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -67.39 -31.78 72.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.04 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.63 -33.15 58.37 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.887 0.375 . . . . 10.0 110.689 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . 0.583 ' O ' HG22 ' C' ' 65' ' ' VAL . 46.8 tt0 -71.11 -50.0 38.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.994 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 95.3 p -64.23 -28.31 69.65 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.575 0.226 . . . . 10.0 111.154 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -69.24 -44.19 72.48 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.535 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 20.9 p -66.03 -37.15 85.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 10.0 112.011 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . 0.583 HG22 ' O ' ' C' ' 61' ' ' GLN . 3.1 t -65.97 -42.64 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.915 0.388 . . . . 10.0 110.088 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . 0.479 ' HA ' ' HE2' ' C' ' 66' ' ' LYS . 0.3 OUTLIER -67.17 -47.69 70.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.974 0.731 . . . . 10.0 112.974 -178.613 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.44 -48.9 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 113.672 0.99 . . . . 10.0 113.672 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -65.47 -32.37 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 25.9 mmmt -73.36 -34.08 65.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.519 0.562 . . . . 10.0 112.519 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.67 -48.84 78.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.754 0.312 . . . . 10.0 111.274 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 13.9 tt -68.0 -33.56 61.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.578 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.2 -32.14 73.01 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.013 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.5 96.95 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.294 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.23 68.67 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.676 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.83 -49.46 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.341 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . 0.547 ' HA ' ' HB3' ' C' ' 79' ' ' PHE . 31.9 mm -70.49 -21.8 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.613 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -65.18 -39.43 92.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.013 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -96.22 -3.35 44.37 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.89 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . 0.547 ' HB3' ' HA ' ' C' ' 76' ' ' ILE . 57.2 t80 -89.48 150.95 22.25 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.1 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.32 -0.848 . . . . 10.0 111.525 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.705 0.288 . . . . 10.0 111.042 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.03 102.05 12.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.812 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 21.8 m -127.14 121.3 22.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.889 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.61 151.24 83.2 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.676 2.251 . . . . 10.0 111.84 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.9 111.34 8.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.305 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 26.3 p -155.89 152.2 28.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.993 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.94 -172.79 35.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.947 -0.644 . . . . 10.0 112.225 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -67.01 -40.52 87.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.706 0.288 . . . . 10.0 111.193 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.18 -33.94 72.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.978 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -71.89 -28.32 63.43 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.134 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -71.95 -39.95 69.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.066 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -68.49 -39.33 80.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 37.3 t -64.27 -46.07 85.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.437 . . . . 10.0 110.73 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.81 61.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.493 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -64.56 -39.63 94.09 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.773 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . 0.449 ' O ' HG23 ' D' ' 20' ' ' VAL . 47.4 m-85 -77.28 -37.86 51.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.691 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -64.92 -44.62 88.91 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -79.12 -28.87 42.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.349 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.33 -41.78 96.43 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.027 -0.606 . . . . 10.0 112.827 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . 0.449 HG23 ' O ' ' D' ' 16' ' ' PHE . 34.3 m -112.72 33.72 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.019 0.438 . . . . 10.0 111.391 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.64 -43.04 89.6 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.379 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -79.45 -18.44 52.12 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.73 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.22 -34.58 70.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.319 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -65.31 -41.24 94.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.167 -0.469 . . . . 10.0 112.027 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 15.4 t -72.42 -25.56 61.52 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.389 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -71.46 -30.65 66.25 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.16 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 47.4 t -72.76 -41.25 61.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.443 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 35.7 p -74.09 -26.63 60.47 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.964 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -72.29 -39.8 68.04 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.11 -23.9 59.38 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.262 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.454 HD11 ' HH ' ' D' ' 47' ' ' TYR . 2.1 tp -66.23 -43.66 86.0 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.59 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.91 -31.82 68.57 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.375 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -69.27 -44.09 72.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.087 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -25.77 66.87 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.762 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.93 -40.12 66.46 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 113.052 0.76 . . . . 10.0 113.052 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.24 25.97 7.58 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.378 0.881 . . . . 10.0 113.378 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.15 103.2 52.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.155 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.06 -73.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.829 2.353 . . . . 10.0 112.734 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -85.04 141.04 30.56 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.662 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 27.5 m-20 -135.26 72.71 65.61 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 115.722 1.749 . . . . 10.0 115.722 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.786 ' HB2' ' HH ' ' C' ' 54' ' ' TYR . 46.3 Cg_endo -70.38 -51.37 0.34 Allowed 'Trans proline' 0 CA--C 1.518 -0.292 0 C-N-CA 121.428 1.419 . . . . 10.0 111.334 176.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.32 -41.47 22.02 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.426 -1.261 . . . . 10.0 110.98 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.23 -19.62 65.88 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 115.183 -0.917 . . . . 10.0 112.928 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.662 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.7 OUTLIER -72.42 -49.57 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.48 -33.34 63.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.74 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.06 -53.6 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.16 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . 0.675 ' CD2' ' HE1' ' A' ' 79' ' ' PHE . 5.6 t80 -72.43 -43.76 63.37 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.762 1.023 . . . . 10.0 113.762 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . 0.469 ' HB2' HD12 ' D' ' 44' ' ' LEU . 0.9 OUTLIER -60.34 -44.31 95.65 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.852 0.316 . . . . 10.0 111.852 -179.292 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 38.2 t -67.74 -48.78 65.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -68.15 -28.91 67.71 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . 0.69 HD21 ' HD3' ' A' ' 80' ' ' ARG . 5.9 tt -75.11 -43.21 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.322 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 79.8 p -69.36 -29.67 67.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.931 0.396 . . . . 10.0 110.157 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.84 -35.87 77.47 Favored 'General case' 0 CA--C 1.523 -0.063 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -60.26 -33.64 72.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.21 -0.904 . . . . 10.0 109.465 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.88 -50.95 68.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.056 -0.975 . . . . 10.0 110.956 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.83 -26.44 60.6 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -59.92 -49.99 75.51 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.714 0.293 . . . . 10.0 111.4 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.07 -32.85 69.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.119 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.55 -27.88 65.52 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.656 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.24 -41.78 66.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.642 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . 0.522 ' O ' HG22 ' D' ' 65' ' ' VAL . 38.6 tt0 -73.26 -37.17 66.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.476 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 91.6 p -69.47 -31.36 69.6 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.1 0.407 . . . . 10.0 112.1 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -74.21 -37.17 63.95 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 19.1 p -69.09 -37.85 78.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . 0.522 HG22 ' O ' ' D' ' 61' ' ' GLN . 38.7 t -70.75 -33.01 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.871 0.367 . . . . 10.0 110.424 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -71.27 -48.29 51.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 10.0 112.41 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -68.05 -46.03 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.82 -31.63 72.69 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' D' ' 65' ' ' VAL . 2.0 tptp -72.92 -35.39 67.04 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -64.93 -43.72 91.86 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.794 0.331 . . . . 10.0 110.907 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 83.0 mt -66.13 -42.49 91.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.919 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . 0.441 ' O ' HG13 ' D' ' 76' ' ' ILE . 32.3 t70 -62.95 -33.81 76.16 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.78 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.04 96.16 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.877 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.0 -32.03 70.01 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.017 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.74 -47.79 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.311 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . 0.441 HG13 ' O ' ' D' ' 72' ' ' ASP . 15.4 mt -67.04 -26.99 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.406 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.66 -39.57 94.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.788 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -95.85 -2.11 48.1 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.811 0.339 . . . . 10.0 111.38 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -99.79 142.47 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.214 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.077 -0.963 . . . . 10.0 111.271 179.385 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.698 0.285 . . . . 10.0 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.05 134.32 33.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.206 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.2 m -101.1 117.23 62.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.762 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.67 151.21 51.83 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.626 2.218 . . . . 10.0 111.89 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -69.92 109.73 4.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.681 -0.489 . . . . 10.0 109.681 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -158.68 129.2 6.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.794 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.93 177.9 16.51 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.007 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -30.88 71.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.716 0.293 . . . . 10.0 110.569 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -72.93 -29.54 63.2 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.116 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -72.56 -30.26 64.27 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.151 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -70.06 -36.62 75.1 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.974 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -74.74 -30.61 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.902 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.1 m -73.62 -29.73 62.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 10.0 110.237 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.79 -40.16 55.67 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.665 . . . . 10.0 112.448 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' C' ' 35' ' ' ALA . 0.0 OUTLIER -64.69 -37.5 87.8 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 -179.663 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 20' ' ' VAL . 9.5 m-85 -76.58 -29.26 56.54 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.931 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -65.77 -52.54 50.09 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 113.01 0.745 . . . . 10.0 113.01 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -73.22 -22.87 60.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.427 0.632 . . . . 10.0 109.504 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.29 -52.66 41.98 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 114.991 -1.004 . . . . 10.0 113.75 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 16' ' ' PHE . 15.5 m -105.6 31.43 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.927 0.394 . . . . 10.0 110.999 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.31 -55.97 17.68 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.601 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.41 -11.75 59.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.276 0.56 . . . . 10.0 110.616 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.0 tm? -68.53 -33.38 74.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.516 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -59.05 -46.83 87.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.99 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -70.06 -26.47 64.03 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.537 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -70.21 -30.35 67.42 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.021 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 23' ' ' LEU . 47.8 t -68.41 -46.53 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-O 120.864 0.364 . . . . 10.0 110.231 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.4 p -71.01 -26.73 63.25 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.825 -0.625 . . . . 10.0 112.067 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -73.82 -43.97 57.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.58 -0.282 . . . . 10.0 111.227 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.28 -26.02 62.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.774 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.2 tp -73.08 -36.57 66.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.203 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -70.6 -37.95 73.95 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.074 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.16 -30.9 68.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.48 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.86 -25.92 48.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.359 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.14 73.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.855 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.29 -9.44 45.06 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -108.36 128.38 25.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.261 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.48 -72.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.773 2.315 . . . . 10.0 112.08 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 m -133.51 123.99 26.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 10.0 110.798 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' CB ' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -137.73 118.0 10.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.084 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.2 -39.25 31.6 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.604 2.202 . . . . 10.0 112.237 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.74 -40.81 54.83 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.98 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 40' ' ' ASP . 3.9 mm? -71.68 -25.48 62.12 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 tp -73.63 -37.21 65.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.785 0.326 . . . . 10.0 110.247 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.14 -29.18 61.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.62 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -44.08 71.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.596 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -72.03 -33.6 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.811 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.25 -47.77 78.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.335 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.0 p -69.15 -39.39 78.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.309 -0.405 . . . . 10.0 112.014 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -69.81 -34.11 73.24 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.192 0.442 . . . . 10.0 112.192 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.5 tp -75.1 -30.07 60.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.927 0.394 . . . . 10.0 110.216 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.1 m -74.57 -30.0 61.56 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.647 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -69.39 -36.57 76.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.666 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.38 -32.75 73.05 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.391 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.3 -39.53 89.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.105 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.89 -28.31 61.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.802 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.86 -49.44 62.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.86 0.362 . . . . 10.0 110.339 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -71.63 -35.81 70.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.41 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -71.65 -39.59 70.23 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.586 0.588 . . . . 10.0 112.586 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.85 -31.19 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.596 0.236 . . . . 10.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -75.17 -38.33 60.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.035 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.5 p -71.25 -28.27 64.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.832 0.349 . . . . 10.0 110.921 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -73.84 -36.59 64.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.512 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p -69.64 -39.27 77.21 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.576 0.584 . . . . 10.0 112.576 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.22 -29.73 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 10.0 110.309 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -48.24 36.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.755 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 71' ' ' ILE . 45.0 t -70.12 -48.66 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 66.0 t80 -54.84 -42.77 72.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 69' ' ' LYS . 24.6 mmtm -72.11 -34.49 68.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.55 -30.82 71.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.099 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.57 HG12 HD21 ' C' ' 55' ' ' ASN . 4.4 mt -72.15 -47.48 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -56.81 -39.15 73.63 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.038 -0.983 . . . . 10.0 111.721 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.05 65.66 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.972 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.0 67.01 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.55 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.516 HD13 ' O ' ' A' ' 71' ' ' ILE . 2.9 mt -66.83 -36.73 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.216 0.531 . . . . 10.0 109.945 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.0 mt -60.95 -43.68 96.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.322 -0.853 . . . . 10.0 110.297 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.7 -31.06 66.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.475 -0.784 . . . . 10.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.55 -13.17 60.98 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.187 0.518 . . . . 10.0 110.184 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.4 ' CZ ' HD22 ' D' ' 51' ' ' LEU . 4.8 t80 -81.22 105.03 12.1 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.433 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.465 ' O ' HG23 ' B' ' 67' ' ' VAL . 7.1 tpt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.083 -0.96 . . . . 10.0 111.374 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.772 0.32 . . . . 10.0 111.075 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.24 137.97 33.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.054 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.8 m -106.85 113.53 62.62 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.4 149.96 63.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.711 2.274 . . . . 10.0 112.049 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -71.19 109.99 5.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.486 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -157.41 114.39 3.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.665 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.31 -177.68 24.22 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.749 -0.739 . . . . 10.0 111.878 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -34.21 77.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.675 0.274 . . . . 10.0 111.008 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -72.2 -27.68 62.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.173 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.48 -32.65 66.4 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.179 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -70.99 -35.7 72.19 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.193 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.453 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 57.0 t -73.13 -32.87 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.868 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -73.63 -28.15 61.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.025 0.441 . . . . 10.0 109.948 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.17 -39.81 53.99 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.642 -0.708 . . . . 10.0 112.129 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.663 ' HZ2' ' HB3' ' D' ' 34' ' ' LEU . 7.0 ptmt -66.06 -38.95 89.61 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.902 0.382 . . . . 10.0 111.753 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.418 ' HB3' ' CE1' ' B' ' 57' ' ' TYR . 13.9 m-85 -74.41 -27.0 60.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.207 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.78 -53.39 57.92 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -73.88 -21.72 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.264 -1.013 . . . . 10.0 108.264 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.68 -52.13 53.8 Favored Glycine 0 CA--C 1.498 -1.018 0 CA-C-N 114.131 -1.395 . . . . 10.0 115.045 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.749 HG13 HD21 ' B' ' 23' ' ' LEU . 17.7 m -117.85 28.84 2.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.165 0.507 . . . . 10.0 110.593 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.451 ' HA ' HE21 ' B' ' 24' ' ' GLN . 28.9 t70 -63.06 -53.51 52.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.29 -0.868 . . . . 10.0 112.165 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -26.29 47.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.569 0.951 . . . . 10.0 113.569 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.749 HD21 HG13 ' B' ' 20' ' ' VAL 0.259 4.1 pp -71.03 -20.49 62.38 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.451 HE21 ' HA ' ' B' ' 21' ' ' ASP . 45.2 mt-30 -56.96 -49.24 76.29 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.035 0.445 . . . . 10.0 110.365 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.7 t -72.06 -26.23 62.1 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.535 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -69.51 -27.36 65.12 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.745 178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.55 HG22 ' O ' ' B' ' 23' ' ' LEU . 95.4 t -70.14 -46.62 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.0 p -70.91 -25.74 62.9 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.616 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.35 -43.94 54.45 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.113 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.47 -28.11 63.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 61.1 tp -72.95 -36.26 67.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.643 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.26 -43.12 82.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -71.79 -23.96 61.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.922 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -77.16 -30.97 55.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.961 0.41 . . . . 10.0 110.022 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.81 -22.59 56.17 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.993 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.95 -21.08 25.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.079 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -101.39 138.98 20.06 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.872 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -64.29 -66.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.562 2.175 . . . . 10.0 110.977 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -143.34 123.87 14.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.883 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.03 112.9 9.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.301 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.97 -31.63 66.28 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.531 2.154 . . . . 10.0 111.98 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.66 -42.13 52.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.188 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.27 -24.48 61.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.785 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 tp -72.72 -38.88 67.33 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 120.712 0.291 . . . . 10.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.58 -28.76 62.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.265 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.91 -44.77 69.0 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.976 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -71.46 -33.38 69.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.525 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.53 -49.65 70.44 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.358 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 77.7 p -67.64 -38.99 84.63 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -71.32 -38.0 71.72 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.34 -33.69 71.77 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.292 0.567 . . . . 10.0 109.803 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.6 m -73.17 -28.07 62.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.387 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.15 -36.45 74.75 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.11 -0.496 . . . . 10.0 109.925 177.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -67.7 -28.76 67.94 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -71.86 -28.75 63.75 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.737 -1.119 . . . . 10.0 109.159 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.92 -34.73 71.81 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.738 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' B' ' 16' ' ' PHE . 19.5 t80 -69.16 -51.43 38.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.82 -0.627 . . . . 10.0 112.188 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -72.24 -29.76 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.506 0.928 . . . . 10.0 113.506 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -78.25 -45.92 21.65 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.48 73.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.595 0.236 . . . . 10.0 111.012 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -70.04 -41.27 74.43 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 90.1 p -69.18 -23.98 64.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.921 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.55 ' O ' HG22 ' B' ' 67' ' ' VAL . 1.8 m-20 -75.98 -45.37 35.1 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.195 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.7 m -65.4 -40.64 93.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 10.0 112.028 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.86 -32.34 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.076 0.465 . . . . 10.0 110.615 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -73.36 -41.03 63.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.916 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.568 ' O ' HG13 ' B' ' 71' ' ' ILE . 56.5 t -67.22 -53.15 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.03 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . 0.637 ' HA ' HD13 ' B' ' 71' ' ' ILE . 37.6 t80 -56.03 -38.89 71.17 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -70.54 -35.41 73.12 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.959 0.355 . . . . 10.0 111.959 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -71.28 -29.45 65.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.867 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' B' ' 68' ' ' PHE . 38.2 mt -68.57 -49.68 63.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.635 -0.505 . . . . 10.0 109.635 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -65.44 -36.79 84.97 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.544 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.97 73.41 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.64 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -38.22 73.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.157 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 13.7 mt -69.15 -37.61 76.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.05 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.29 -36.98 78.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.021 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -76.62 -26.79 55.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.341 -0.391 . . . . 10.0 111.277 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -79.49 -15.11 58.33 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.814 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -99.22 119.49 37.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.265 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.202 -0.904 . . . . 10.0 111.112 179.331 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.734 0.302 . . . . 10.0 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.78 141.55 29.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 19.1 m -116.5 112.9 40.95 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.162 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.72 164.7 34.85 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.98 2.453 . . . . 10.0 111.632 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 56.4 t90 -74.5 109.77 8.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.893 0.378 . . . . 10.0 109.997 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m -152.55 134.96 15.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.75 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.78 -178.63 15.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.852 -0.69 . . . . 10.0 111.974 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -31.5 72.4 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.648 0.261 . . . . 10.0 111.608 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.435 ' H ' HD22 ' C' ' 9' ' ' LEU . 1.5 pt? -72.46 -30.42 64.54 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.115 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -72.3 -32.47 66.6 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.08 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -70.39 -36.53 74.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.729 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -73.46 -31.84 34.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.714 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -74.0 -27.45 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.578 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.47 59.01 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.926 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -68.19 -33.01 73.65 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.648 -0.251 . . . . 10.0 111.464 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . 0.487 ' HB3' ' HE1' ' C' ' 57' ' ' TYR . 8.8 m-85 -77.82 -32.41 52.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.126 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.57 -50.74 64.04 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.539 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -75.93 -24.17 55.5 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.82 -43.96 95.4 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.536 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 27.6 m -112.13 29.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.693 0.282 . . . . 10.0 111.336 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.02 -56.02 25.94 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.325 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.43 -8.84 59.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.086 0.47 . . . . 10.0 110.88 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.51 -33.12 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.004 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -59.3 -44.93 92.49 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.652 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -71.08 -26.51 63.09 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.53 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -70.52 -28.66 65.11 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.797 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 65.7 t -69.94 -45.76 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.081 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 35.2 p -72.22 -24.71 61.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.903 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.59 -46.48 54.05 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.534 -0.303 . . . . 10.0 110.988 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.37 -24.2 61.23 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.094 0.474 . . . . 10.0 110.206 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.56 -43.91 79.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.83 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.22 -33.97 70.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.735 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -40.78 83.03 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.072 0.397 . . . . 10.0 112.072 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 35.0 tp -75.94 -24.72 55.5 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . 0.552 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . . . -49.85 -45.97 50.89 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . 0.273 . . -111.24 24.66 12.59 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 114.81 1.411 . . . . 10.0 114.81 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . 0.403 ' HB3' ' OD1' ' C' ' 40' ' ' ASP . 1.0 OUTLIER -117.94 109.07 41.6 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 176.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -43.67 -68.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.875 3.05 . . . . 10.0 113.778 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 66.0 m -147.03 124.03 11.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.858 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . 0.426 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 5.2 m-20 -137.11 118.89 11.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.668 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.68 -36.31 53.1 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.519 2.146 . . . . 10.0 111.867 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.63 -39.25 58.11 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.784 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.426 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.1 mm? -72.37 -28.53 63.07 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.3 -38.98 68.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.464 -0.335 . . . . 10.0 110.653 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.1 -29.22 61.74 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.761 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.04 66.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.956 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -71.33 -34.01 70.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.946 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -63.23 -45.71 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.07 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 59.1 p -70.83 -39.0 73.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 10.0 112.062 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -69.97 -34.91 73.99 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -75.4 -31.55 60.47 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.765 0.317 . . . . 10.0 110.773 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 66.6 m -74.75 -29.92 61.31 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.429 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.91 -36.38 83.22 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . 0.433 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 70.9 t80 -68.83 -34.26 75.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.161 -0.927 . . . . 10.0 109.231 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . 0.57 HD21 HG12 ' A' ' 71' ' ' ILE . 28.5 t-20 -64.65 -46.16 83.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.147 -0.933 . . . . 10.0 111.311 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.43 -28.49 61.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . 0.487 ' HE1' ' HB3' ' C' ' 16' ' ' PHE . 0.2 OUTLIER -64.97 -47.97 75.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 10.0 110.982 179.383 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.454 ' NH2' ' HB3' ' C' ' 61' ' ' GLN . 1.3 mmp_? -78.93 -33.45 45.38 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -67.35 -32.95 74.24 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.845 -0.342 . . . . 10.0 111.149 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.87 -31.09 56.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.597 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . 0.454 ' HB3' ' NH2' ' C' ' 58' ' ' ARG . 45.8 tt0 -74.67 -37.55 62.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 52.1 p -71.15 -30.79 66.9 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.831 0.348 . . . . 10.0 110.144 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -75.23 -39.12 60.26 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.782 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 11.7 p -67.77 -37.97 82.8 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.666 0.247 . . . . 10.0 111.666 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 82.5 t -69.88 -33.77 57.25 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.103 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -74.39 -43.17 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . 0.425 ' O ' HG13 ' C' ' 71' ' ' ILE . 78.8 t -70.36 -48.36 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -60.96 -43.39 98.81 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.378 0.511 . . . . 10.0 112.378 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -66.75 -34.48 77.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.681 -0.236 . . . . 10.0 111.296 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -31.04 71.37 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.462 -0.336 . . . . 10.0 111.064 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . 0.425 HG13 ' O ' ' C' ' 67' ' ' VAL . 74.7 mt -69.29 -42.81 81.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 65.4 m-20 -67.54 -31.96 72.42 Favored 'General case' 0 C--N 1.335 -0.049 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.854 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.81 56.85 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.793 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.68 -46.09 48.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 10.0 110.837 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 51.7 mt -71.41 -30.98 41.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.623 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' C' ' 72' ' ' ASP . 1.7 tp -69.12 -34.14 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -83.64 -19.53 35.24 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.769 0.319 . . . . 10.0 111.266 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -79.3 -19.81 49.53 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -82.82 107.72 15.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.529 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.188 -0.911 . . . . 10.0 111.082 -179.865 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.745 0.307 . . . . 10.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.43 138.14 33.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 22.4 m -106.18 114.08 62.79 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.744 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.47 151.16 64.87 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.64 2.227 . . . . 10.0 112.008 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -72.19 110.21 6.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.295 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 61.3 m -156.35 121.83 4.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.953 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.74 178.74 19.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.906 -0.664 . . . . 10.0 111.757 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -34.54 78.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.631 0.253 . . . . 10.0 111.324 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.444 ' H ' HD22 ' D' ' 9' ' ' LEU . 1.9 pt? -72.15 -28.48 63.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.067 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -72.52 -32.0 65.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.973 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -70.52 -36.48 73.77 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.609 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 61.7 t -71.75 -35.03 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.58 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -73.43 -26.54 61.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.272 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.79 -42.74 57.57 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.64 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -28.65 65.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.484 -0.326 . . . . 10.0 111.578 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . 0.471 ' HB3' ' HE1' ' D' ' 57' ' ' TYR . 2.5 m-85 -77.96 -37.46 47.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.007 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.16 -50.2 66.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.429 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -75.22 -23.96 57.66 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.82 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.07 -43.13 96.15 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.916 -0.584 . . . . 10.0 112.84 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 31.1 m -115.02 32.24 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 10.0 111.152 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.4 -51.81 68.31 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.541 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -10.88 58.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.169 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -25.86 62.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.762 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -65.51 -45.67 82.62 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.43 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -72.47 -25.93 61.61 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.548 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -70.88 -30.42 66.78 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.434 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.0 t -72.16 -43.36 66.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.359 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -69.26 -28.08 66.0 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.5 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.31 -32.31 55.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.091 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.86 78.09 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.452 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.92 -34.48 66.63 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.78 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.08 -46.68 88.77 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.496 0.498 . . . . 10.0 111.374 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -71.24 -25.77 62.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.382 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.663 ' HB3' ' HZ2' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -76.34 -23.48 54.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.322 179.494 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.41 -55.27 35.71 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.792 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.477 . . -98.06 26.35 5.34 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 115.536 1.68 . . . . 10.0 115.536 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -136.6 100.75 10.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 105.928 -1.879 . . . . 10.0 105.928 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -69.0 -74.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.77 2.314 . . . . 10.0 115.233 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 13.6 m -93.26 124.07 36.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.782 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 6.5 m-20 -139.41 119.69 9.41 Favored Pre-proline 0 N--CA 1.446 -0.639 0 N-CA-C 114.194 1.183 . . . . 10.0 114.194 -177.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.445 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 53.0 Cg_endo -73.42 -50.57 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.488 2.125 . . . . 10.0 110.709 176.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.79 -52.57 6.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.396 -1.274 . . . . 10.0 112.423 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -63.55 -23.0 67.2 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.31 1.226 . . . . 10.0 114.31 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.782 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -73.79 -37.55 64.91 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.07 0.462 . . . . 10.0 109.868 179.081 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.86 65.83 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.09 -0.959 . . . . 10.0 111.237 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.94 83.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.686 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -72.47 -33.14 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.832 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -62.05 -52.42 64.0 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 45.3 p -68.95 -38.95 79.74 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -69.19 -31.67 70.44 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . 0.4 HD22 ' CZ ' ' A' ' 79' ' ' PHE . 17.0 tp -74.83 -31.82 61.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.841 0.353 . . . . 10.0 110.33 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 50.9 m -74.7 -29.12 61.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.47 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.26 -36.54 81.81 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -67.25 -31.51 71.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.188 -0.914 . . . . 10.0 109.749 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . 0.486 HD21 HG12 ' B' ' 71' ' ' ILE . 28.5 t-20 -62.28 -50.46 71.59 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.304 -0.862 . . . . 10.0 112.232 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' D' ' 56' ' ' LEU . 1.3 mm? -73.91 -27.16 60.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . 0.471 ' HE1' ' HB3' ' D' ' 16' ' ' PHE . 8.3 t80 -60.13 -44.9 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 10.0 110.506 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -81.35 -31.5 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 10.0 112.483 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -72.12 -42.72 65.74 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.656 0.265 . . . . 10.0 111.574 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.64 -29.93 65.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.154 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . 0.404 ' O ' HG22 ' D' ' 65' ' ' VAL . 46.0 tt0 -73.74 -40.19 63.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.238 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 90.3 p -71.77 -26.88 62.62 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.267 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -73.91 -38.42 64.35 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.626 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 9.8 p -67.47 -37.47 82.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.788 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . 0.404 HG22 ' O ' ' D' ' 61' ' ' GLN . 31.7 t -71.99 -34.05 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 120.89 0.376 . . . . 10.0 110.406 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.9 -40.91 71.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.862 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.12 -49.83 31.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 111.958 0.355 . . . . 10.0 111.958 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -56.69 -44.25 81.28 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 112.378 0.51 . . . . 10.0 112.378 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -67.85 -34.89 77.58 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.77 -28.93 68.03 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.67 0.272 . . . . 10.0 111.142 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 83.9 mt -72.43 -44.77 61.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.931 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -64.84 -37.68 88.43 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.021 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.55 70.89 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.912 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.51 -37.73 71.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.157 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.71 -35.79 62.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.008 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.83 -36.84 77.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.929 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -72.65 -30.22 64.1 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.288 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -79.24 -15.97 57.2 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.002 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -93.78 117.53 30.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.083 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.278 -0.868 . . . . 10.0 111.251 179.379 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 tpp . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.821 0.344 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.46 142.25 31.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.432 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m -100.45 118.0 61.89 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.32 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -75.19 148.67 34.86 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.486 2.124 . . . . 10.0 110.986 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.498 ' HZ3' ' HB3' ' D' ' 38' ' ' PRO . 79.8 m95 -70.7 110.74 5.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.321 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -144.56 116.95 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 10.0 111.326 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.83 -177.15 38.97 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.758 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -67.11 -43.53 82.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.897 0.348 . . . . 10.0 111.283 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 tp -75.49 -38.4 59.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.137 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.17 -36.82 85.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.522 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -70.45 -36.05 73.7 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.973 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.2 t -67.96 -38.97 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.714 0.292 . . . . 10.0 111.014 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 m -65.62 -47.4 75.76 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.738 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -21.92 60.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.995 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -63.53 -54.56 34.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.922 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.414 ' O ' HG23 ' A' ' 20' ' ' VAL . 68.6 m-85 -75.98 -30.6 58.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.67 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -51.01 63.38 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -79.15 -23.46 43.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.963 0.411 . . . . 10.0 110.22 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.05 -47.66 71.74 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-N 115.694 -0.684 . . . . 10.0 112.831 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 16' ' ' PHE . 27.7 m -116.9 32.66 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.18 -47.83 82.74 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.499 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -80.48 -12.57 59.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.249 0.547 . . . . 10.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.3 -30.92 71.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.231 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.55 -45.74 90.92 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.7 t -70.84 -25.94 63.06 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.519 -0.309 . . . . 10.0 111.332 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -68.87 -32.16 71.63 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.961 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.24 -44.77 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.906 0.384 . . . . 10.0 110.325 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.0 p -71.49 -24.48 61.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.874 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.85 -42.34 58.14 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.029 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.82 -30.29 66.69 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.721 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD12 ' HH ' ' A' ' 47' ' ' TYR . 54.2 tp -73.02 -35.99 66.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.822 179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.5 -44.67 95.8 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.138 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 8.8 mptt -71.34 -29.8 65.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.604 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -32.82 74.71 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.455 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.61 -25.17 66.48 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.36 4.74 22.88 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 40.4 mmtm -110.22 125.56 30.77 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 112.034 0.383 . . . . 10.0 112.034 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -71.47 -65.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.952 2.434 . . . . 10.0 110.866 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -118.64 124.1 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.676 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.38 95.86 11.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.551 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.23 -43.02 15.81 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.478 2.119 . . . . 10.0 112.377 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.81 -41.28 53.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.676 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.7 mm? -71.21 -24.45 62.21 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.99 -41.66 70.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.871 0.367 . . . . 10.0 110.653 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -31.42 62.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.768 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.62 69.76 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.034 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.461 ' HH ' HD12 ' A' ' 31' ' ' LEU . 43.8 t80 -71.12 -34.18 70.82 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.705 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -66.29 -39.49 89.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.336 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.529 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 39.7 t -73.41 -42.75 61.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.729 -0.669 . . . . 10.0 111.37 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -69.32 -32.64 71.88 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.586 0.588 . . . . 10.0 112.586 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.1 -33.34 61.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.783 0.325 . . . . 10.0 110.942 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.5 p -74.06 -29.4 61.86 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.367 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 49' ' ' SER . 51.0 mt-10 -66.48 -37.01 84.16 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -68.26 -36.7 79.82 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.928 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -64.66 -43.83 92.35 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.284 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.7 -35.68 79.26 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.221 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.23 -48.3 76.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.792 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.622 ' NH1' ' HA ' ' B' ' 42' ' ' ALA . 0.2 OUTLIER -75.46 -35.59 60.85 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -71.82 -39.73 69.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.22 -32.02 66.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.562 0.22 . . . . 10.0 111.157 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.545 ' O ' HG22 ' A' ' 65' ' ' VAL . 4.8 tt0 -74.39 -47.25 35.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.067 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -64.32 -28.1 69.48 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.844 0.354 . . . . 10.0 110.804 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -72.58 -42.6 64.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.81 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.3 p -69.44 -37.26 77.28 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 61' ' ' GLN . 57.6 t -63.98 -44.21 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.659 0.266 . . . . 10.0 111.391 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.85 -48.06 40.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.9 t -64.97 -51.24 69.19 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.709 ' HE1' ' HB3' ' D' ' 39' ' ' SER . 54.9 t80 -56.47 -37.75 70.75 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.597 0.561 . . . . 10.0 112.053 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -73.13 -35.27 66.49 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -61.42 -33.79 74.29 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.851 0.357 . . . . 10.0 110.272 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.577 ' O ' HD13 ' A' ' 75' ' ' ILE . 3.0 mt -68.83 -51.54 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.842 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.86 -42.21 68.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.014 -0.994 . . . . 10.0 111.86 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.81 -26.93 60.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.994 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -47.58 65.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.69 -0.232 . . . . 10.0 111.072 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.577 HD13 ' O ' ' A' ' 71' ' ' ILE . 3.1 mt -63.6 -38.19 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.016 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 79' ' ' PHE . 19.5 mt -56.51 -43.41 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.17 -0.923 . . . . 10.0 110.714 179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -83.59 -13.53 54.14 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.157 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' C' ' 66' ' ' LYS . 68.8 m-20 -85.97 -2.25 58.11 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 76' ' ' ILE . 1.4 m-85 -54.03 -84.52 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.264 177.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.746 ' HA ' ' HE3' ' C' ' 66' ' ' LYS . 59.3 mtm180 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.313 -0.851 . . . . 10.0 111.038 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.0 tpp . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.738 0.304 . . . . 10.0 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.58 144.69 32.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -103.85 112.68 65.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.71 143.03 45.15 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.626 2.217 . . . . 10.0 111.76 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -69.57 111.04 5.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.971 0.415 . . . . 10.0 111.081 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 10.3 p -149.35 107.9 3.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.82 -171.6 27.0 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -66.68 -45.69 78.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.005 0.403 . . . . 10.0 111.483 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 tp -75.31 -39.12 59.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.534 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -64.99 -39.94 94.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.711 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.509 ' HB3' HD11 ' D' ' 31' ' ' LEU . 0.5 OUTLIER -69.08 -35.25 76.28 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.699 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.659 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 53.8 t -66.35 -34.09 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.325 0.583 . . . . 10.0 111.003 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m -71.53 -45.27 62.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.372 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.72 -25.36 56.54 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.742 ' HE2' ' HA ' ' D' ' 35' ' ' ALA . 0.5 OUTLIER -65.48 -49.01 70.64 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.811 0.3 . . . . 10.0 111.811 -179.181 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.627 ' N ' ' HG3' ' B' ' 15' ' ' LYS . 33.8 m-85 -76.64 -31.7 57.52 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.692 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -52.78 45.56 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 114.499 1.296 . . . . 10.0 114.499 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -77.38 -23.81 50.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 10.0 111.872 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.6 -48.12 13.95 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 115.186 0.834 . . . . 10.0 115.186 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 16' ' ' PHE . 34.3 m -109.26 31.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.385 0.612 . . . . 10.0 112.119 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -71.18 -20.54 62.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.372 -0.831 . . . . 10.0 110.633 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.415 ' HB3' ' HE1' ' A' ' 5' ' ' TRP . 6.3 t-20 -93.11 -23.84 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.528 ' HG ' ' HB ' ' B' ' 20' ' ' VAL 0.284 0.8 OUTLIER -68.52 -21.29 64.58 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.607 0.966 . . . . 10.0 113.607 -179.833 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -57.9 -47.33 83.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.006 0.431 . . . . 10.0 110.211 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -73.79 -25.87 60.35 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.78 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -69.85 -31.76 69.78 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.145 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.487 HG22 ' O ' ' B' ' 23' ' ' LEU . 98.7 t -70.88 -45.07 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.898 0.38 . . . . 10.0 110.015 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 39.3 p -69.56 -24.74 63.75 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.457 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.99 -41.18 52.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.637 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.48 64.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.695 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.44 HD12 ' HH ' ' B' ' 47' ' ' TYR . 51.3 tp -73.17 -35.96 66.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.624 179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.05 -44.82 91.31 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.699 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.95 -24.2 61.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.656 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.99 -34.59 76.81 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.994 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.61 -12.03 60.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.889 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.56 6.37 23.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.997 0.369 . . . . 10.0 111.997 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -122.4 126.82 26.08 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.45 -58.36 0.1 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.89 2.393 . . . . 10.0 110.551 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.3 p -130.81 124.68 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.48 -0.782 . . . . 10.0 108.922 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.491 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.6 OUTLIER -136.6 95.88 12.41 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -178.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.51 -34.53 52.77 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.452 2.101 . . . . 10.0 111.492 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.622 ' HA ' ' NH1' ' A' ' 58' ' ' ARG . . . -76.04 -46.58 28.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.227 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.491 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.9 mm? -71.34 -21.13 62.08 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.761 0.652 . . . . 10.0 112.761 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.7 tp -69.57 -43.66 72.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.872 0.368 . . . . 10.0 110.623 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.48 62.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.801 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.45 64.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.365 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.44 ' HH ' HD12 ' B' ' 31' ' ' LEU . 43.8 t80 -71.3 -33.71 69.94 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.833 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -66.09 -39.3 89.89 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.679 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 35.7 t -74.9 -38.69 61.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.338 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -74.35 -32.36 62.76 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.8 tp -74.09 -34.79 64.11 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 84.0 p -74.07 -28.1 61.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.255 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.563 ' HA ' HD22 ' B' ' 56' ' ' LEU . 19.6 mt-10 -67.04 -37.1 83.51 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.306 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -69.56 -30.05 67.75 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -69.02 -42.79 75.91 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.791 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.563 HD22 ' HA ' ' B' ' 53' ' ' GLU . 0.7 OUTLIER -68.64 -29.61 68.13 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.802 0.334 . . . . 10.0 111.234 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -68.99 -47.02 66.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.555 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . 0.513 ' HA ' ' HE ' ' B' ' 58' ' ' ARG . 0.6 OUTLIER -78.49 -33.35 48.26 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.473 0.545 . . . . 10.0 112.473 -179.419 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -71.23 -50.68 30.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.0 77.18 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.203 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -70.35 -45.06 66.87 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.478 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 80.7 p -65.78 -24.65 66.98 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.785 0.326 . . . . 10.0 110.805 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.41 ' O ' HG13 ' B' ' 67' ' ' VAL . 0.4 OUTLIER -74.85 -44.56 48.45 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.161 179.155 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 34.5 p -70.25 -37.24 74.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 10.0 112.071 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.0 -42.34 92.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.273 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -73.64 -45.73 50.96 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 113.36 0.874 . . . . 10.0 113.36 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 80' ' ' ARG . 5.6 p -61.17 -48.37 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -64.92 -35.43 81.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.649 0.262 . . . . 10.0 111.516 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -73.63 -36.46 65.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -70.95 -38.91 72.85 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.625 0.25 . . . . 10.0 111.625 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 15.8 pt -75.06 -29.19 21.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.402 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -72.07 -40.89 67.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.062 0.458 . . . . 10.0 109.807 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 -21.91 60.46 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.741 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.39 -38.6 74.72 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.416 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 14.0 mt -65.54 -42.58 93.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.088 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 68.2 mt -58.65 -37.53 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.26 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.51 -19.6 35.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.612 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -89.33 -0.18 57.28 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.278 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -85.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.447 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.105 -0.95 . . . . 10.0 111.323 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.2 tpt . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.763 0.316 . . . . 10.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.13 142.2 32.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.211 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 20.5 m -108.78 112.57 60.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.729 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.25 156.6 46.36 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.736 2.29 . . . . 10.0 112.352 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -69.91 111.18 5.45 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.999 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 17.1 p -148.4 124.46 10.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.01 0.433 . . . . 10.0 111.302 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.07 -169.98 40.37 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.8 -0.637 . . . . 10.0 111.728 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -66.75 -47.22 72.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.751 0.31 . . . . 10.0 111.513 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 37.4 tp -74.74 -36.07 62.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.504 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -67.45 -35.82 79.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.974 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' C' ' 15' ' ' LYS . 0.5 OUTLIER -71.44 -36.32 71.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.578 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.47 -40.13 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.713 0.292 . . . . 10.0 110.987 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 48.6 m -65.57 -45.22 84.1 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.108 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.89 59.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.557 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' C' ' 11' ' ' ASP . 5.2 tptp -67.19 -46.51 73.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . 0.412 ' O ' HG23 ' C' ' 20' ' ' VAL . 57.2 m-85 -77.87 -32.95 52.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.673 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -50.59 65.79 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.175 0.435 . . . . 10.0 112.175 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -79.28 -23.98 43.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 10.0 111.292 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.55 -49.15 58.03 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.999 -0.62 . . . . 10.0 113.046 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.412 HG23 ' O ' ' C' ' 16' ' ' PHE . 27.0 m -110.11 31.63 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 111.982 0.364 . . . . 10.0 111.982 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.87 -48.81 78.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -85.61 -11.4 54.03 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.042 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.67 -33.48 75.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.351 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -58.38 -47.18 84.7 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.116 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -69.12 -25.77 64.56 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.427 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -69.37 -30.69 68.74 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.568 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 67.3 t -68.79 -46.23 79.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.414 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.3 p -71.23 -24.72 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.827 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -72.52 -47.05 51.5 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.285 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.48 -29.17 67.72 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.957 0.408 . . . . 10.0 110.808 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . 0.505 HD12 ' HH ' ' C' ' 47' ' ' TYR . 40.3 tp -72.98 -34.99 66.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.257 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.76 -37.73 87.76 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.249 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.87 -32.82 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 10.0 110.949 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -21.22 64.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.395 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . 0.427 ' HB1' ' HZ3' ' A' ' 15' ' ' LYS . . . -43.14 -55.46 3.89 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 113.739 1.014 . . . . 10.0 113.739 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.57 25.3 5.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.55 123.36 69.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 10.0 110.785 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.434 ' CB ' ' HG2' ' A' ' 53' ' ' GLU . 19.0 Cg_endo -59.41 -73.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.163 2.575 . . . . 10.0 113.21 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -131.63 125.61 32.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.003 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . 0.636 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -135.63 92.58 16.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.485 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -63.21 -37.7 49.51 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.585 2.19 . . . . 10.0 112.128 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.62 54.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.908 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.636 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.7 mm? -72.24 -22.28 61.27 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.504 0.557 . . . . 10.0 112.504 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.26 -42.6 71.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.863 0.363 . . . . 10.0 110.567 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.82 -31.03 63.03 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.706 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.18 66.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.139 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . 0.505 ' HH ' HD12 ' C' ' 31' ' ' LEU . 45.0 t80 -69.6 -34.33 73.96 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.84 179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -67.3 -39.42 85.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.871 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t -73.71 -42.13 61.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.613 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -69.6 -31.89 70.29 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.331 0.493 . . . . 10.0 112.331 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tp -75.3 -33.69 61.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.645 0.259 . . . . 10.0 111.05 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -74.68 -30.82 61.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.382 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -64.05 -36.35 83.71 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . 0.483 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 45.2 t80 -70.62 -35.89 73.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.046 -0.979 . . . . 10.0 109.898 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -61.45 -50.73 71.61 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.934 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.11 -27.01 64.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.034 -0.53 . . . . 10.0 112.381 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . 0.405 ' CD2' ' HG2' ' C' ' 58' ' ' ARG . 1.1 t80 -63.21 -54.97 29.17 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.843 0.312 . . . . 10.0 111.843 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.63 HH21 ' HG2' ' C' ' 61' ' ' GLN . 0.6 OUTLIER -75.94 -33.16 59.82 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -178.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -67.42 -40.25 85.53 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.554 0.216 . . . . 10.0 111.533 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.3 -32.28 62.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.407 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . 0.63 ' HG2' HH21 ' C' ' 58' ' ' ARG . 5.9 tp60 -66.07 -52.44 48.9 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.118 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 58.9 p -64.15 -32.98 74.75 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.643 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -66.73 -50.03 64.08 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.973 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 28.9 p -64.12 -37.11 86.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.556 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . 0.512 HG22 ' O ' ' C' ' 61' ' ' GLN . 54.1 t -60.2 -52.03 66.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.41 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . 0.746 ' HE3' ' HA ' ' A' ' 80' ' ' ARG . 4.3 tmtt? -72.44 -34.56 67.88 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.67 -48.58 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -64.68 -34.29 77.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.67 0.272 . . . . 10.0 111.463 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -72.3 -34.12 67.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.812 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -63.83 -33.17 75.09 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.763 0.316 . . . . 10.0 110.374 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.56 -41.89 72.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.684 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.9 -36.21 82.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.48 -22.41 47.54 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.206 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.47 -40.26 61.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.625 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.97 -42.59 82.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 5.7 tp -62.13 -31.55 51.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.505 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -84.69 -20.21 31.57 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.752 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -82.46 -6.51 59.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.087 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -53.61 -85.63 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.881 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . 0.776 ' NH2' ' HB ' ' D' ' 67' ' ' VAL . 36.3 mtm180 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.095 -0.955 . . . . 10.0 111.389 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 56.9 tpp . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.661 0.267 . . . . 10.0 110.93 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.71 144.43 32.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.962 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 25.1 m -103.3 112.75 65.9 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.87 145.35 50.52 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.593 2.195 . . . . 10.0 111.822 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -71.2 111.23 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.98 0.419 . . . . 10.0 111.271 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 8.9 p -147.58 110.96 4.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.963 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.97 -171.68 27.27 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.017 -0.611 . . . . 10.0 111.716 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -66.97 -50.35 62.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.981 0.363 . . . . 10.0 111.981 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -35.36 62.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.771 0.319 . . . . 10.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.73 -39.37 93.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.855 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.58 -36.44 63.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.976 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.76 -44.57 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.572 0.225 . . . . 10.0 111.385 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 17.1 p -67.9 -36.16 79.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.442 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.08 -25.94 58.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.737 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -41.33 70.94 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.612 -0.267 . . . . 10.0 111.439 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -78.43 -44.24 25.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.73 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -50.82 65.46 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.9 m -79.51 -28.85 41.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.689 0.281 . . . . 10.0 111.631 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.03 -53.46 33.62 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.947 -0.644 . . . . 10.0 113.567 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 32.1 m -106.89 32.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.178 0.513 . . . . 10.0 111.612 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.6 -39.12 86.97 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.535 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -80.63 -8.92 59.78 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.904 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . 0.401 ' O ' HG22 ' D' ' 27' ' ' VAL . 0.5 OUTLIER -71.14 -26.14 62.87 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.726 -0.215 . . . . 10.0 111.414 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -61.22 -46.3 91.0 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t -73.3 -25.78 60.8 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.623 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -68.96 -35.39 76.69 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.354 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.401 HG22 ' O ' ' D' ' 23' ' ' LEU . 51.4 t -71.26 -40.1 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.84 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -69.49 -28.42 66.05 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.791 0.329 . . . . 10.0 111.319 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -77.32 -33.93 55.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.449 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.27 -42.5 72.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.524 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -72.99 -34.89 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.918 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -62.47 -45.46 92.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.384 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -47.2 65.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.946 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.738 ' HG ' ' HE3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -61.94 -23.19 66.21 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 -179.191 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . 0.742 ' HA ' ' HE2' ' B' ' 15' ' ' LYS . . . -50.24 -54.03 24.02 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.48 24.26 5.32 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -121.68 103.2 40.93 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . 0.498 ' HB3' ' HZ3' ' A' ' 5' ' ' TRP . 14.4 Cg_endo -58.47 -73.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.952 2.435 . . . . 10.0 113.402 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' SER . . . . . 0.709 ' HB3' ' HE1' ' A' ' 68' ' ' PHE . 16.2 m -96.38 124.05 40.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.732 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.4 OUTLIER -138.18 106.05 7.96 Favored Pre-proline 0 C--O 1.216 -0.682 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -178.131 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.663 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 38.2 Cg_endo -69.48 -48.3 0.81 Allowed 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 122.646 2.231 . . . . 10.0 111.698 177.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.72 -47.59 15.05 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.197 -0.911 . . . . 10.0 112.45 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.564 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 2.4 mm? -65.21 -23.78 67.17 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.732 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -82.44 -42.53 18.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 10.0 110.844 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.87 -32.63 67.65 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.999 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.35 -36.78 71.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.857 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.72 -34.22 71.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.016 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.75 -40.88 96.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.527 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 88.8 p -76.77 -38.76 53.52 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -68.83 -36.99 78.86 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.41 -30.13 59.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.16 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 93.4 p -74.49 -30.11 61.7 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.94 0.4 . . . . 10.0 109.946 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.95 -36.64 75.44 Favored 'General case' 0 C--O 1.23 0.079 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -67.04 -35.79 80.65 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.209 -0.905 . . . . 10.0 110.422 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -62.35 -52.18 64.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.5 -0.773 . . . . 10.0 112.003 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.76 -27.18 63.75 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.17 0.804 . . . . 10.0 113.17 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.067 0.46 . . . . 10.0 110.096 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . 0.6 ' HA ' ' HE ' ' D' ' 58' ' ' ARG . 0.4 OUTLIER -82.45 -36.36 26.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.363 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -71.44 -37.48 71.42 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.81 -33.95 62.3 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.679 0.251 . . . . 10.0 111.679 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -73.46 -41.02 63.72 Favored 'General case' 0 C--N 1.334 -0.072 0 CA-C-O 120.72 0.295 . . . . 10.0 111.095 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p -70.15 -25.84 63.65 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.002 0.429 . . . . 10.0 110.494 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -76.28 -42.75 44.42 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.995 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 14.1 p -66.93 -38.17 85.66 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 87.1 t -70.17 -32.82 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.814 0.34 . . . . 10.0 110.548 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -48.27 50.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.495 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . 0.776 ' HB ' ' NH2' ' C' ' 80' ' ' ARG . 32.8 m -73.47 -39.41 54.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 -178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -67.34 -40.87 85.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.759 0.314 . . . . 10.0 111.334 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -34.43 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.347 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -66.72 -33.06 74.79 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.396 -0.366 . . . . 10.0 111.638 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 84.8 mt -71.94 -44.57 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.928 0.394 . . . . 10.0 110.295 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.7 -43.59 98.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.462 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.56 -25.7 63.2 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.991 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.58 75.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.339 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.25 -39.64 83.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.759 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.63 -35.1 65.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.692 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -83.43 -16.92 43.95 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.255 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -92.9 -1.28 56.87 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.333 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -58.4 -86.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.382 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.208 -0.901 . . . . 10.0 110.867 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.934 0.397 . . . . 10.0 111.765 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.68 150.47 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.4 p -92.23 121.57 66.37 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.563 0.221 . . . . 10.0 111.587 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.8 141.31 37.08 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.8 2.333 . . . . 10.0 112.584 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.67 ' HE1' HD22 ' B' ' 23' ' ' LEU . 16.7 t90 -75.97 110.92 10.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.015 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -88.88 128.74 35.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.67 0.271 . . . . 10.0 111.421 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.0 152.71 13.3 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.808 -0.71 . . . . 10.0 112.249 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.46 -37.46 82.96 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.837 0.31 . . . . 10.0 111.837 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 68' ' ' PHE . 2.6 mm? -74.98 -22.19 58.69 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.395 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.8 -36.01 77.71 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.987 0.422 . . . . 10.0 110.05 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.32 -36.35 71.54 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.252 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.01 -35.53 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.321 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -68.23 -46.69 69.83 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.811 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.83 63.0 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.058 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.493 ' HZ2' ' HB2' ' C' ' 35' ' ' ALA . 20.3 tptp -65.95 -42.95 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.551 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -71.49 -32.91 68.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.2 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.47 -42.3 92.41 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -67.93 -24.18 65.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.113 0.483 . . . . 10.0 109.922 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -37.96 45.01 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.581 -0.736 . . . . 10.0 112.327 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.1 m -111.7 31.56 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 120.732 0.301 . . . . 10.0 111.766 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.77 -55.42 19.9 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.317 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -81.63 -10.74 59.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.36 0.6 . . . . 10.0 110.245 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.37 -32.18 71.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.57 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -60.03 -46.38 89.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.872 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -71.08 -26.23 62.97 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.501 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -70.66 -30.32 66.9 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.15 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.2 t -70.64 -43.49 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.279 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 p -73.04 -25.13 60.83 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.537 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.73 -40.99 65.65 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.048 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.42 -24.27 54.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.789 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.7 tp -69.67 -46.64 65.63 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.618 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.74 -31.53 68.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.855 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -69.51 -36.14 76.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.937 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -76.57 -30.93 57.23 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -23.95 60.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.987 0.366 . . . . 10.0 111.987 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.96 4.6 53.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.765 0.317 . . . . 10.0 111.591 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -131.41 136.51 28.75 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.763 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.39 -66.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.693 2.262 . . . . 10.0 112.176 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 p -150.2 125.65 10.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 10.0 111.448 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.733 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -133.58 125.4 18.52 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.52 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.63 -36.09 54.98 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.425 2.084 . . . . 10.0 111.974 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.37 -37.23 60.71 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.748 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.733 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 4.0 mm? -72.24 -30.72 65.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.839 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.6 mt -72.69 -34.77 67.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.143 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.98 -35.26 64.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.683 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.68 -41.86 64.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.118 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -69.72 -34.37 73.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.216 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -40.21 79.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.885 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 27.7 t -72.83 -40.99 65.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.284 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -68.41 -33.22 73.85 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.1 tp -73.88 -29.66 62.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.948 0.404 . . . . 10.0 110.422 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.9 m -74.29 -29.79 61.8 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.523 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.819 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 45.2 mt-10 -68.66 -37.09 79.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.047 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -70.35 -32.5 70.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.583 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.48 -38.47 87.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.428 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.13 -31.47 69.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.6 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.75 -41.61 91.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 10.0 110.139 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -77.58 -33.35 53.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 10.0 112.423 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -73.15 -44.76 59.6 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.9 -31.11 64.43 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.851 0.315 . . . . 10.0 111.851 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -67.71 -50.33 58.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.042 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.2 p -70.87 -21.24 62.43 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.689 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.499 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -70.16 -44.77 68.13 Favored 'General case' 0 C--O 1.227 -0.107 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.318 178.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.9 m -63.27 -38.14 89.99 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.08 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.13 -40.24 82.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -68.66 -38.5 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 63' ' ' ASN . 20.1 t -67.96 -52.37 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 113.823 1.046 . . . . 10.0 113.823 -178.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.717 ' HE2' ' HB3' ' D' ' 39' ' ' SER . 20.6 t80 -65.72 -35.57 81.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.487 -0.485 . . . . 10.0 112.281 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -33.62 75.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.977 0.418 . . . . 10.0 110.486 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -71.38 -47.97 52.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.881 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.534 HG23 ' HA ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -65.04 -39.07 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.54 ' HA ' HD13 ' A' ' 75' ' ' ILE . 9.6 t70 -70.55 -27.65 64.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.539 -0.301 . . . . 10.0 111.765 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.89 -32.12 70.29 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.789 0.328 . . . . 10.0 110.253 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.39 77.18 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.969 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.54 HD13 ' HA ' ' A' ' 72' ' ' ASP . 18.0 mt -63.74 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.73 0.776 . . . . 10.0 109.536 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.454 ' O ' ' HB2' ' A' ' 79' ' ' PHE . 3.7 mt -58.15 -42.98 84.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.664 -1.153 . . . . 10.0 111.307 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.95 -15.11 60.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.787 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -75.52 -21.07 58.29 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.454 ' HB2' ' O ' ' A' ' 76' ' ' ILE . 20.1 m-85 -58.03 118.9 5.9 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.155 -0.929 . . . . 10.0 109.808 177.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.112 -0.947 . . . . 10.0 111.943 -179.54 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.862 0.363 . . . . 10.0 111.182 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.84 148.88 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.4 p -92.85 118.47 67.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.995 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.56 136.55 31.15 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.778 2.318 . . . . 10.0 112.524 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 23.9 t90 -76.44 112.47 12.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.49 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 42.0 m -87.65 125.7 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.461 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.22 149.6 11.93 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.959 -0.639 . . . . 10.0 112.267 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -66.6 -37.64 85.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.612 0.244 . . . . 10.0 111.581 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.23 -22.19 58.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.723 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -69.56 -33.99 73.54 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.37 -36.15 66.05 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.199 -0.91 . . . . 10.0 110.141 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 84.8 t -67.82 -32.48 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.338 0.589 . . . . 10.0 109.951 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -71.22 -40.87 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.655 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -28.42 61.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.21 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.477 ' NZ ' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -64.28 -41.72 96.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.812 0.339 . . . . 10.0 111.019 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.588 ' O ' HG23 ' B' ' 20' ' ' VAL . 36.6 m-85 -73.54 -39.02 65.05 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.282 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -57.02 -50.52 72.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.334 1.235 . . . . 10.0 114.334 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.7 m -56.19 -32.88 64.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.39 -43.15 16.6 Favored Glycine 0 CA--C 1.494 -1.236 0 C-N-CA 120.617 -0.801 . . . . 10.0 114.326 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.702 HG13 HD21 ' B' ' 23' ' ' LEU . 17.1 m -87.09 12.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.091 -0.554 . . . . 10.0 111.041 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.497 ' HA ' HE21 ' B' ' 24' ' ' GLN . 26.3 t70 -64.24 -43.14 95.85 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.706 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -82.87 -27.35 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.702 HD21 HG13 ' B' ' 20' ' ' VAL 0.29 3.8 pp -70.9 -20.39 62.5 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.497 HE21 ' HA ' ' B' ' 21' ' ' ASP . 48.3 mt-30 -57.49 -47.49 81.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.016 0.436 . . . . 10.0 110.038 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.0 t -73.32 -26.05 60.89 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.579 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -70.04 -29.6 66.67 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.848 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 23' ' ' LEU . 92.6 t -70.58 -45.03 76.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 38.0 p -71.67 -26.4 62.51 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.202 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -72.05 -41.25 67.67 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.277 -0.42 . . . . 10.0 109.999 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.16 -24.37 57.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.759 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.422 HD12 ' HH ' ' B' ' 47' ' ' TYR . 53.0 tp -71.32 -45.59 62.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.504 179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -70.67 -31.57 68.53 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.999 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -69.49 -34.59 74.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.873 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.13 -31.09 58.46 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.673 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.67 -21.31 57.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.556 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.07 4.43 53.92 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.28 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -132.1 146.08 60.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.938 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -66.4 -61.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.595 2.197 . . . . 10.0 111.272 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.7 p -160.97 125.8 3.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.955 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.506 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -132.38 124.86 19.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.527 179.681 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.23 -31.69 74.16 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.37 2.046 . . . . 10.0 111.672 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.67 -41.58 60.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.333 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.4 mm? -72.63 -23.33 60.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.9 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.93 -44.72 65.59 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.308 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.2 -28.94 61.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.966 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.77 -42.44 70.42 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.462 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.422 ' HH ' HD12 ' B' ' 31' ' ' LEU . 51.9 t80 -72.05 -33.7 68.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.498 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -41.38 79.23 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.823 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 43.4 t -70.2 -39.18 75.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.787 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -71.59 -31.84 67.37 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.815 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.55 -31.78 62.23 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.032 0.444 . . . . 10.0 109.82 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.2 m -73.7 -29.21 62.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.364 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -69.67 -36.91 76.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.069 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -69.49 -32.39 71.24 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -69.72 -29.88 67.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.601 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -35.46 80.61 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.078 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -67.26 -48.46 67.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.702 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -75.63 -24.23 56.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.391 0.885 . . . . 10.0 113.391 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -78.26 -58.32 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.98 -30.26 70.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.472 0.177 . . . . 10.0 111.301 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -67.33 -45.11 77.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.382 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 79.0 p -70.94 -21.16 62.38 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.673 0.273 . . . . 10.0 111.27 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.558 ' O ' HG22 ' B' ' 67' ' ' VAL . 0.4 OUTLIER -75.75 -45.35 36.89 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.418 179.569 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -61.51 -37.5 83.94 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.688 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 59.1 t -67.17 -37.63 79.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.848 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -71.46 -33.33 69.24 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.558 HG22 ' O ' ' B' ' 63' ' ' ASN . 23.6 t -66.35 -53.03 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -70.11 -35.17 73.94 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.57 0.582 . . . . 10.0 112.57 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mmpm? -65.13 -34.65 78.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.708 0.29 . . . . 10.0 111.543 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -71.39 -46.14 61.06 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.185 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 1.2 pt -71.43 -29.2 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.857 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . 0.407 ' HA ' HD13 ' B' ' 75' ' ' ILE . 32.8 t70 -72.28 -32.88 67.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.36 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.88 -32.51 73.06 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.026 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.85 87.35 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.745 -0.662 . . . . 10.0 110.811 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' B' ' 72' ' ' ASP . 10.8 mt -65.84 -43.08 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.786 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 76.0 mt -61.35 -35.57 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.016 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -77.77 -16.35 58.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.181 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -80.25 -22.51 41.64 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.56 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -63.04 126.12 26.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.742 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.053 -0.975 . . . . 10.0 111.619 -179.867 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.743 0.306 . . . . 10.0 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.82 147.99 43.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 23.8 p -92.96 119.55 67.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.69 160.49 37.81 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.898 2.399 . . . . 10.0 112.745 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -81.78 125.42 30.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.775 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -102.56 126.59 49.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.509 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.58 158.53 21.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.539 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.04 -33.82 76.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.949 0.404 . . . . 10.0 111.376 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.487 HD13 ' H ' ' C' ' 9' ' ' LEU . 3.5 mp -74.23 -23.14 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.094 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -71.69 -34.59 69.78 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.399 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -73.05 -37.44 66.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.783 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.19 -35.97 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.698 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -67.4 -46.57 72.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.683 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -25.57 63.8 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.421 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -65.56 -39.48 91.74 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 10.0 110.707 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . 0.423 ' O ' HG23 ' C' ' 20' ' ' VAL . 18.5 m-30 -75.5 -33.39 60.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.069 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -65.16 -39.54 93.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.933 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 16.3 m -70.43 -29.47 66.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.928 0.394 . . . . 10.0 110.767 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.48 -34.33 60.43 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.016 -0.611 . . . . 10.0 112.276 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.423 HG23 ' O ' ' C' ' 16' ' ' PHE . 29.2 m -110.15 30.34 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.768 0.318 . . . . 10.0 111.484 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.11 -55.9 18.68 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.413 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -83.86 -9.11 58.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.224 0.535 . . . . 10.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.22 -33.87 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.034 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -59.25 -45.58 90.79 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.13 -0.486 . . . . 10.0 112.089 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -71.67 -26.01 62.35 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.599 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.46 -28.5 63.99 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.773 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 92.5 t -70.15 -46.4 72.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.065 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.115 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 38.3 p -71.13 -25.81 62.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.487 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.79 -44.14 67.23 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.324 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.77 -24.07 52.91 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.965 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . 0.583 HD12 ' HH ' ' C' ' 47' ' ' TYR . 32.7 tp -71.2 -42.96 68.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.505 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -31.39 68.14 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.62 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 25.6 mttp -71.71 -35.91 70.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.289 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -73.44 -52.03 15.12 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . 0.493 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . . . -64.79 -21.12 66.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.87 21.02 15.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.307 0.575 . . . . 10.0 111.066 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 14.9 tptt -141.88 124.64 9.42 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.89 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.819 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 59.6 Cg_exo -42.72 -72.66 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.86 3.04 . . . . 10.0 114.241 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -154.54 125.73 7.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.963 0.411 . . . . 10.0 111.844 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . 0.689 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 3.9 m-20 -136.71 119.04 11.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.88 -32.41 66.4 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.185 1.923 . . . . 10.0 112.0 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.6 -35.12 60.62 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.546 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.689 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.2 mm? -72.71 -29.73 63.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.738 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 36.5 mt -72.52 -36.7 68.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.167 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.27 -32.75 63.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.73 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.99 -45.24 59.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.276 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . 0.583 ' HH ' HD12 ' C' ' 31' ' ' LEU . 64.6 t80 -67.58 -34.64 77.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.469 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -40.1 84.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.055 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.6 t -74.76 -39.17 61.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.507 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -66.65 -40.66 88.77 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tp -72.23 -29.79 64.28 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.976 -0.289 . . . . 10.0 111.451 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 66.3 m -73.37 -29.5 62.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.717 0.294 . . . . 10.0 110.317 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.16 -37.16 86.46 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -71.57 -31.49 67.03 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.343 -0.844 . . . . 10.0 109.063 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -63.81 -44.36 93.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.864 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.77 -28.09 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -40.37 93.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.994 0.426 . . . . 10.0 109.897 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.416 ' NH2' ' HB3' ' C' ' 61' ' ' GLN . 2.3 mmp_? -78.76 -35.77 44.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.625 -0.716 . . . . 10.0 112.351 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -69.04 -36.38 77.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.143 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.36 -31.62 54.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.36 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . 0.416 ' HB3' ' NH2' ' C' ' 58' ' ' ARG . 35.7 tt0 -69.69 -45.8 67.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 29.0 m -69.02 -28.11 66.27 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.161 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.25 -46.67 69.83 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.964 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 28.8 m -62.43 -38.29 89.15 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.833 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . 0.51 HG21 ' HG ' ' D' ' 49' ' ' SER . 93.3 t -64.63 -46.89 91.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.26 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -68.81 -32.46 72.19 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.6 -55.1 16.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -66.63 -32.39 73.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 0.5 OUTLIER -69.57 -34.46 74.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.644 0.259 . . . . 10.0 111.48 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.89 -49.44 61.94 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.375 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 pt -69.46 -33.17 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -72.31 -29.11 63.53 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.789 0.328 . . . . 10.0 110.953 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.21 66.15 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.161 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.57 -34.21 65.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.657 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -66.77 -47.56 82.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . 0.64 ' HA ' ' HD2' ' C' ' 79' ' ' PHE . 1.1 pt -68.54 -22.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.997 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -80.67 -18.74 47.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 10.0 110.31 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -79.63 -24.97 41.54 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . 0.64 ' HD2' ' HA ' ' C' ' 76' ' ' ILE . 10.3 m-85 -57.74 126.16 26.16 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.94 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.095 -0.955 . . . . 10.0 111.691 -179.773 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.783 0.325 . . . . 10.0 111.179 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.43 148.91 38.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.99 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 20.4 p -92.83 117.99 67.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.55 139.91 35.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.699 2.266 . . . . 10.0 112.443 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 23.9 t90 -77.36 112.28 13.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.484 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 43.9 m -91.36 131.66 36.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.521 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.24 156.37 20.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.02 -0.61 . . . . 10.0 112.264 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -66.87 -37.3 84.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.702 0.287 . . . . 10.0 111.756 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.66 -22.08 59.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.464 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.88 -37.59 70.13 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.416 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -70.13 -37.89 75.42 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.722 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -69.64 -38.08 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.597 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 38.6 t -66.28 -44.69 82.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.881 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.99 -27.88 66.1 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.331 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -66.8 -37.15 83.97 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.559 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -74.92 -36.42 62.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.943 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.15 -39.88 93.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.75 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 25.5 m -70.34 -30.14 67.01 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.993 0.425 . . . . 10.0 110.75 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.55 -32.93 64.16 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.411 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.49 28.83 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.919 0.39 . . . . 10.0 111.172 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.1 -53.41 55.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.344 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.61 -9.71 59.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.664 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.01 -29.67 65.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.643 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -62.78 -44.47 96.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.683 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -73.67 -26.03 60.54 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.655 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.52 -31.32 66.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.149 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 82.3 t -72.2 -42.19 66.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.433 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 41.3 p -72.59 -24.73 61.13 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.38 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -72.85 -41.74 64.48 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.104 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.42 -24.31 57.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.499 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.77 -51.81 56.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.33 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.1 -31.69 68.11 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.792 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -65.67 -40.34 92.3 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.016 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 52.0 tp -77.73 -24.41 49.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.656 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . 0.477 ' HA ' ' NZ ' ' B' ' 15' ' ' LYS . . . -55.21 -44.38 75.3 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.386 0.513 . . . . 10.0 112.386 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.341 . . -98.6 25.86 6.08 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 114.776 1.399 . . . . 10.0 114.776 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -148.86 99.73 3.5 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.735 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.09 -73.51 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.56 0 C-N-CA 124.163 3.242 . . . . 10.0 113.893 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' SER . . . . . 0.717 ' HB3' ' HE2' ' A' ' 68' ' ' PHE . 51.1 m -92.25 124.12 36.09 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 7.0 m-20 -138.4 115.32 9.08 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 114.352 1.241 . . . . 10.0 114.352 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.56 -48.24 0.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.63 2.22 . . . . 10.0 111.311 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.47 -42.55 22.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.227 -1.351 . . . . 10.0 113.55 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.511 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.1 mm? -67.66 -38.72 84.17 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.0 OUTLIER -69.08 -30.87 69.27 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.923 0.392 . . . . 10.0 110.3 178.484 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.12 -50.93 68.54 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.902 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.74 -38.2 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.259 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -65.43 -33.91 77.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.256 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -69.25 -44.85 71.11 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.823 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' SER . . . . . 0.51 ' HG ' HG21 ' C' ' 65' ' ' VAL . 50.0 m -72.15 -39.99 68.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 10.0 112.204 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -70.6 -26.75 63.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.587 0.588 . . . . 10.0 112.587 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mt -73.27 -35.37 66.16 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 52' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' D' ' 55' ' ' ASN . 50.0 m -74.37 -28.31 61.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.474 -0.784 . . . . 10.0 110.572 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -66.19 -37.6 85.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.753 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -74.54 -29.08 61.24 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . 0.671 HD21 HD23 ' D' ' 56' ' ' LEU . 2.2 t30 -60.4 -46.46 89.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.866 -1.061 . . . . 10.0 110.665 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . 0.671 HD23 HD21 ' D' ' 55' ' ' ASN . 3.0 mm? -74.58 -28.26 60.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.688 0.996 . . . . 10.0 113.688 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -60.96 -40.36 93.07 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -83.41 -33.92 25.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.663 -0.699 . . . . 10.0 112.607 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -70.18 -53.38 17.37 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.28 83.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.8 -48.55 78.62 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.676 0.274 . . . . 10.0 111.453 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -69.99 -23.73 63.2 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.233 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . 0.497 ' O ' HG22 ' D' ' 67' ' ' VAL . 0.8 OUTLIER -72.44 -41.32 66.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.649 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 5.8 m -64.93 -38.34 90.65 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.738 0.304 . . . . 10.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.57 -32.39 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.099 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -69.53 -30.81 68.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.677 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . 0.497 HG22 ' O ' ' D' ' 63' ' ' ASN . 41.5 t -69.21 -57.13 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.59 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.46 -40.05 93.08 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . 0.76 ' HZ1' ' HA ' ' D' ' 69' ' ' LYS . 0.3 OUTLIER -64.68 -34.72 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.929 0.344 . . . . 10.0 111.929 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.94 -51.05 23.95 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.867 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 34.9 pt -68.76 -31.11 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.97 -32.87 67.68 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.604 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.83 -32.52 73.85 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.488 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.57 78.54 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.791 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 51.9 mt -67.94 -39.01 80.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.637 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.46 -35.69 71.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.576 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -76.49 -19.02 58.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.473 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -76.48 -24.73 53.81 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.671 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -61.42 125.37 23.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.982 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.141 -0.933 . . . . 10.0 111.632 -179.749 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.667 0.27 . . . . 10.0 111.329 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.91 137.01 32.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.208 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.1 p -108.92 110.65 60.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.262 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.37 155.84 45.98 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.715 2.277 . . . . 10.0 112.54 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -68.57 111.77 4.95 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.106 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -141.73 144.89 34.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.89 0.376 . . . . 10.0 111.331 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.8 162.05 26.67 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.444 -0.662 . . . . 10.0 111.444 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -66.92 -32.42 73.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.424 0.631 . . . . 10.0 109.59 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.5 tp -74.99 -34.63 61.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.806 -1.088 . . . . 10.0 110.418 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.58 -27.87 63.43 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.104 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.54 -36.5 71.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.496 -0.774 . . . . 10.0 110.37 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG11 HG21 ' A' ' 64' ' ' THR . 81.6 t -68.01 -36.42 75.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.412 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.2 m -70.3 -36.37 74.3 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.231 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.09 57.27 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.077 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -65.56 -49.35 69.19 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.566 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 20' ' ' VAL . 20.5 m-85 -71.9 -27.38 62.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.474 -0.784 . . . . 10.0 110.909 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.55 -51.27 63.7 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.687 0.625 . . . . 10.0 112.687 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -70.47 -23.85 62.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.078 0.466 . . . . 10.0 109.878 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.2 -44.62 65.22 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.825 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 16' ' ' PHE . 28.8 m -111.45 31.56 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.74 -56.23 24.48 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -84.96 -9.3 58.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.894 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' O ' HG22 ' A' ' 27' ' ' VAL . 3.2 tm? -71.09 -41.57 70.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.63 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.56 -41.43 97.36 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.762 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 m -66.96 -30.48 70.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.874 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -73.69 -25.01 60.03 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.367 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 23' ' ' LEU . 50.9 t -69.26 -47.35 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.904 0.383 . . . . 10.0 110.32 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.5 p -69.3 -34.29 74.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.341 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -68.0 -40.69 82.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.392 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.44 -24.3 61.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.278 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 tp -72.9 -38.95 66.74 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.912 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.02 -34.26 73.06 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.874 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -71.35 -35.31 71.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.649 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -71.19 -31.93 68.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.905 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.64 61.36 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.36 3.38 51.1 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.768 0.284 . . . . 10.0 111.768 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -123.13 134.35 25.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.274 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.61 -67.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.905 2.403 . . . . 10.0 112.13 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 p -137.24 124.88 22.28 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.883 0.373 . . . . 10.0 111.456 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.91 113.26 9.06 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.782 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.59 -31.7 59.62 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.561 2.174 . . . . 10.0 112.505 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 -48.17 19.6 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.81 -25.77 62.13 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.64 0.607 . . . . 10.0 112.64 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 tp -71.1 -41.01 71.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.858 0.361 . . . . 10.0 110.435 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -31.59 62.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.877 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.05 -46.64 61.65 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.152 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -67.59 -33.86 75.87 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.194 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -65.67 -44.66 85.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.185 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.5 t -71.72 -41.49 68.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.657 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -70.04 -28.24 65.31 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 tp -75.22 -31.21 60.81 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.001 0.429 . . . . 10.0 109.963 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.2 m -73.26 -35.39 66.19 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.017 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.52 -36.88 81.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.003 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -63.78 -38.06 89.68 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.713 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -63.89 -40.71 97.15 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.213 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -65.72 -30.72 71.43 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.788 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -50.85 64.94 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.632 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -28.54 55.35 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -72.3 -43.3 64.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.806 -0.179 . . . . 10.0 111.253 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.55 79.21 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 120.741 0.305 . . . . 10.0 110.645 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -72.68 -40.34 66.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.451 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.5 p -71.06 -27.52 63.7 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.518 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -75.31 -31.76 60.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.854 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.549 HG21 HG11 ' A' ' 12' ' ' VAL . 3.7 m -69.56 -49.37 54.91 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.323 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.22 -35.35 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.913 0.338 . . . . 10.0 111.913 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -71.07 -48.32 53.25 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.915 0.709 . . . . 10.0 112.915 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.2 t -77.85 -42.37 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.553 ' CZ ' ' HD3' ' D' ' 41' ' ' PRO . 76.1 t80 -59.54 -34.23 72.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.353 . . . . 10.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -73.86 -34.43 64.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.57 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -59.16 -34.76 72.48 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.733 0.301 . . . . 10.0 111.163 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.476 ' O ' HD13 ' A' ' 75' ' ' ILE . 2.4 mt -70.69 -49.01 54.62 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.841 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.483 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 2.2 t70 -57.04 -35.87 69.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.807 -1.088 . . . . 10.0 112.263 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.48 -21.63 41.8 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -49.52 26.54 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.694 0.283 . . . . 10.0 111.71 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 71' ' ' ILE . 3.3 mt -67.85 -35.94 74.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 121.699 0.761 . . . . 10.0 109.389 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.616 ' HA ' ' HD2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -61.42 -34.35 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 114.497 -1.228 . . . . 10.0 111.835 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -83.89 -15.07 49.42 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.212 0.53 . . . . 10.0 110.028 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -84.3 -8.66 58.95 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.411 -0.813 . . . . 10.0 109.529 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.616 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 1.7 m-85 -55.24 -84.54 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.944 -1.026 . . . . 10.0 109.552 177.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.218 -0.896 . . . . 10.0 111.156 179.295 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.694 0.283 . . . . 10.0 111.098 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.16 141.11 28.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.3 p -111.5 108.58 56.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.2 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.83 150.12 49.09 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.679 2.253 . . . . 10.0 112.164 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -67.43 111.82 4.29 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.242 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -137.95 139.83 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.85 165.69 25.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 10.0 112.327 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -67.39 -43.66 80.82 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.885 0.328 . . . . 10.0 111.885 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -28.08 60.41 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.835 0.35 . . . . 10.0 110.839 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -72.86 -32.82 65.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.701 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.14 -44.03 69.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.441 -0.799 . . . . 10.0 110.698 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.406 HG22 HD11 ' D' ' 31' ' ' LEU . 2.8 p -61.58 -33.33 56.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.819 0.342 . . . . 10.0 111.784 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -69.49 -31.68 70.11 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.87 -25.68 56.38 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.362 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' B' ' 12' ' ' VAL . 13.1 mmmt -67.77 -45.29 75.3 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.651 -0.499 . . . . 10.0 109.651 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -70.66 -28.98 65.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.888 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.58 -53.8 25.23 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 114.406 1.262 . . . . 10.0 114.406 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -71.06 -26.24 62.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.078 0.466 . . . . 10.0 111.212 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.98 -38.13 36.47 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.796 -0.638 . . . . 10.0 113.802 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.677 HG12 HD22 ' B' ' 23' ' ' LEU . 2.5 t -109.86 30.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.319 0.581 . . . . 10.0 110.401 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.48 -51.44 29.06 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.385 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -78.91 -22.09 46.37 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.144 0.424 . . . . 10.0 112.144 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.677 HD22 HG12 ' B' ' 20' ' ' VAL . 17.9 tp -69.2 -33.7 73.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.565 -0.288 . . . . 10.0 111.206 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' B' ' 20' ' ' VAL . 30.7 mm-40 -62.02 -40.43 95.68 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.908 0.385 . . . . 10.0 111.336 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.4 m -70.25 -29.41 66.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.392 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.74 -25.5 62.95 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.062 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.429 HG22 ' O ' ' B' ' 23' ' ' LEU . 48.7 t -70.46 -48.47 59.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.216 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 30.8 p -67.26 -32.71 73.9 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.164 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -70.97 -39.04 72.77 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.1 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.35 60.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.174 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 tp -71.52 -39.6 70.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.553 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -70.43 -35.0 73.11 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.686 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -71.41 -30.03 65.6 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.839 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.58 -36.99 71.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.323 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.88 -17.4 59.8 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.817 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.98 2.49 53.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.761 0.315 . . . . 10.0 111.537 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -128.51 142.09 43.65 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.85 -58.23 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.752 2.301 . . . . 10.0 111.557 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 39.5 p -151.19 125.98 9.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.932 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -136.56 112.93 10.03 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 112.111 0.411 . . . . 10.0 112.111 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.95 -29.32 66.83 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.684 2.256 . . . . 10.0 112.318 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.61 -49.6 15.87 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.35 -21.86 61.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 tp -72.76 -42.55 63.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.928 0.394 . . . . 10.0 110.258 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.03 63.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.632 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.76 60.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.914 -0.584 . . . . 10.0 111.105 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -67.24 -33.41 75.28 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.756 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.78 -41.09 96.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.907 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.2 t -76.3 -39.63 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.672 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.461 ' HD2' ' CD1' ' B' ' 23' ' ' LEU . 41.0 mmtm -72.5 -34.73 67.84 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 113.035 0.754 . . . . 10.0 113.035 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 52.4 tp -71.84 -33.86 68.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.281 0.562 . . . . 10.0 109.567 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.1 m -72.51 -29.53 63.69 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.241 -0.891 . . . . 10.0 110.66 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.02 -35.96 69.55 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.106 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -62.76 -36.57 83.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.487 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.73 -35.34 80.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.865 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -28.29 67.4 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.602 -0.727 . . . . 10.0 111.303 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -49.51 36.83 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.627 -0.26 . . . . 10.0 111.526 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.02 -16.84 61.04 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.336 0.495 . . . . 10.0 112.336 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -79.14 -58.58 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.274 0.842 . . . . 10.0 113.274 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.38 -33.65 74.03 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.424 0.154 . . . . 10.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -67.13 -43.37 82.58 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-O 120.853 0.358 . . . . 10.0 110.369 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -71.25 -31.68 67.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.836 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -72.23 -39.58 68.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.772 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 7.6 p -68.63 -38.77 80.78 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.685 0.254 . . . . 10.0 111.685 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.84 -35.21 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.051 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.97 -49.09 26.11 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.488 ' O ' HG13 ' B' ' 71' ' ' ILE . 15.0 t -68.32 -46.45 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . 0.484 ' HA ' HD13 ' B' ' 71' ' ' ILE . 83.0 t80 -61.63 -32.52 72.66 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -69.79 -34.93 74.4 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.748 -0.205 . . . . 10.0 111.521 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.61 -26.48 64.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.475 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 67' ' ' VAL . 46.3 mt -70.17 -50.62 45.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.45 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.53 -33.59 76.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.755 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.72 62.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.318 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.92 75.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.947 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 10.1 mt -66.27 -41.68 89.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.792 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . 0.524 ' HA ' ' HD2' ' B' ' 79' ' ' PHE . 94.2 mt -61.88 -35.92 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.237 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -78.37 -20.89 50.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.313 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -87.7 -7.35 57.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.142 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . 0.524 ' HD2' ' HA ' ' B' ' 76' ' ' ILE . 2.2 m-85 -62.32 -84.77 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.352 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.27 -0.872 . . . . 10.0 111.35 179.312 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.809 0.338 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.96 141.02 29.09 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.075 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 18.3 p -121.07 112.1 33.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -77.58 167.44 24.21 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.882 2.388 . . . . 10.0 111.77 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 48.5 t90 -76.43 112.71 13.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.967 0.413 . . . . 10.0 111.475 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -153.73 119.66 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.772 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.6 -173.18 14.15 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.807 -0.711 . . . . 10.0 112.672 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -66.82 -40.46 88.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.826 0.346 . . . . 10.0 111.395 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 37.3 tp -70.8 -35.99 72.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.195 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.92 -29.2 69.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.576 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.05 -36.25 66.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.936 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.623 HG11 HG21 ' C' ' 64' ' ' THR . 46.7 t -69.93 -37.44 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.878 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -68.73 -38.7 80.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.495 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.78 -23.11 58.46 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.959 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -43.4 87.14 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.437 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . 0.418 ' O ' HG23 ' C' ' 20' ' ' VAL . 30.1 m-85 -76.9 -28.43 55.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.628 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.5 -45.64 89.76 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.01 -0.541 . . . . 10.0 112.061 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -72.38 -27.05 62.14 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.794 0.33 . . . . 10.0 111.287 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.9 -41.5 72.3 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.425 ' O ' ' HG2' ' C' ' 24' ' ' GLN . 27.5 m -108.8 31.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.31 -55.03 40.04 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.119 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -91.89 -7.03 50.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.887 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.444 ' O ' HG22 ' C' ' 27' ' ' VAL . 3.3 tm? -71.04 -40.76 71.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.114 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' C' ' 20' ' ' VAL . 33.2 mm-40 -61.95 -39.63 92.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.169 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 4.7 m -68.56 -31.6 70.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -73.83 -25.66 60.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.309 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.444 HG22 ' O ' ' C' ' 23' ' ' LEU . 92.9 t -67.39 -48.15 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 120.848 0.356 . . . . 10.0 110.212 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 24.0 p -69.08 -32.92 72.72 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.395 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -68.74 -43.77 75.18 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.647 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.75 -24.3 61.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.894 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . 0.496 HD12 ' HH ' ' C' ' 47' ' ' TYR . 51.5 tp -72.53 -40.37 66.82 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.893 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.45 -30.66 68.62 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.591 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -71.38 -45.11 63.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.329 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -70.01 -29.07 66.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.798 0.333 . . . . 10.0 111.016 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.09 -36.89 83.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 10.0 112.135 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.49 25.18 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -125.24 120.96 25.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.335 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -48.67 -71.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.653 2.902 . . . . 10.0 113.51 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 77.4 p -148.07 124.81 11.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.03 0.443 . . . . 10.0 112.029 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.64 111.7 8.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.794 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.28 -28.71 63.84 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.519 2.146 . . . . 10.0 112.541 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.88 -47.96 19.7 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.068 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.71 -24.48 61.0 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -69.52 -41.9 75.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.789 0.328 . . . . 10.0 110.431 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.07 -29.55 61.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.674 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.74 57.56 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.272 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . 0.496 ' HH ' HD12 ' C' ' 31' ' ' LEU . 65.1 t80 -67.36 -34.0 76.4 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.276 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.56 -42.06 87.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.953 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -74.45 -38.86 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.859 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -74.11 -26.51 60.38 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.05 -35.86 61.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.806 0.336 . . . . 10.0 110.571 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 12.1 p -74.51 -30.09 61.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.301 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.5 -36.49 84.37 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . 0.695 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 47.0 t80 -67.8 -37.49 82.06 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.449 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.17 -48.26 82.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.287 -0.87 . . . . 10.0 111.297 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -67.75 -27.76 67.06 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -53.08 61.88 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.628 0.251 . . . . 10.0 111.502 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.562 ' CZ ' ' HB1' ' D' ' 45' ' ' ALA . 0.0 OUTLIER -86.53 -15.56 39.63 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.737 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -78.27 -34.1 49.14 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.99 58.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.266 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -71.97 -35.62 69.59 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.637 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 77.7 p -71.26 -28.65 64.31 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.04 0.448 . . . . 10.0 110.588 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -77.45 -33.22 54.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.648 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' THR . . . . . 0.623 HG21 HG11 ' C' ' 12' ' ' VAL . 82.0 m -69.98 -43.78 70.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.628 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.91 -33.99 65.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.196 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -75.31 -45.94 36.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.54 -49.72 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.3 -37.95 76.07 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.719 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 10.7 mmpt? -72.19 -34.31 68.32 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -61.65 -35.71 78.72 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.816 0.341 . . . . 10.0 110.589 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 45.9 mt -73.32 -41.73 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.233 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -66.48 -34.78 78.7 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.476 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.26 -21.52 46.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.382 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.62 -43.74 46.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.742 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 52.6 mt -73.59 -41.52 55.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 tp -62.64 -30.73 49.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.384 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -85.05 -20.85 29.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.385 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -75.59 -12.57 60.24 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.583 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -52.8 -83.01 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.442 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.27 -0.871 . . . . 10.0 111.474 179.13 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.707 0.289 . . . . 10.0 111.125 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.59 140.64 29.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 19.9 p -111.66 109.0 55.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.237 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.36 153.74 55.92 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.637 2.225 . . . . 10.0 112.033 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -70.04 111.14 5.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.731 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m -143.91 145.54 32.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.583 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.65 172.32 28.03 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.628 -0.796 . . . . 10.0 112.447 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -66.97 -39.82 87.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.851 0.357 . . . . 10.0 111.23 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' D' ' 65' ' ' VAL . 34.8 tp -72.47 -32.37 66.19 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.911 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.14 -31.11 65.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.736 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -69.44 -36.45 76.64 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.96 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -67.05 -38.3 81.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.596 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -69.17 -36.8 77.76 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.902 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.64 58.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.112 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -67.04 -44.88 79.08 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.587 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . 0.445 ' O ' HG23 ' D' ' 20' ' ' VAL . 30.9 m-85 -77.93 -30.06 50.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.319 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.9 -50.76 65.27 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.876 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.6 m -73.18 -24.03 60.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.069 0.462 . . . . 10.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.31 -41.94 76.71 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.82 -0.627 . . . . 10.0 113.137 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . 0.445 HG23 ' O ' ' D' ' 16' ' ' PHE . 34.3 m -111.24 32.4 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.965 0.412 . . . . 10.0 111.242 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.3 -50.74 72.56 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.802 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -88.35 -9.76 51.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.421 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.47 -40.41 70.29 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.203 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -61.86 -37.09 83.21 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -71.35 -29.31 64.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.669 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -75.82 -26.34 57.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.514 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.5 t -70.76 -43.32 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.784 0.326 . . . . 10.0 110.512 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -71.97 -32.51 67.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.185 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -71.56 -37.07 71.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.477 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.24 -28.24 63.03 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.221 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.406 HD11 HG22 ' B' ' 12' ' ' VAL . 20.4 tp -73.32 -37.48 66.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.08 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -70.69 -32.24 69.41 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.261 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -70.83 -40.62 72.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.054 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 tt -72.13 -23.94 61.39 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.99 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.98 -52.56 14.4 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.92 17.18 24.64 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -116.03 106.28 49.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.794 -1.187 . . . . 10.0 107.794 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -65.35 -77.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.766 2.311 . . . . 10.0 113.647 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -97.2 122.02 39.75 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.677 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.0 OUTLIER -140.29 115.98 7.79 Favored Pre-proline 0 C--O 1.219 -0.518 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -178.247 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.695 ' HB2' ' HH ' ' C' ' 54' ' ' TYR . 37.1 Cg_endo -68.3 -45.29 2.8 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.892 2.395 . . . . 10.0 111.68 177.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.75 -55.92 4.93 Favored 'General case' 0 C--O 1.227 -0.082 0 CA-C-N 115.178 -0.919 . . . . 10.0 113.058 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.29 -33.12 71.9 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.88 1.067 . . . . 10.0 113.88 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.677 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -73.74 -37.21 65.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 10.0 110.792 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . 0.562 ' HB1' ' CZ ' ' C' ' 58' ' ' ARG . . . -74.75 -37.77 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.802 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.95 -45.26 82.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.533 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -67.75 -33.21 74.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.097 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . 0.424 HE21 HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -63.93 -47.97 78.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.547 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -72.23 -41.4 66.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 10.0 112.33 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -70.9 -25.7 62.9 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 tp -75.12 -39.23 60.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.688 0.28 . . . . 10.0 111.159 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 12.9 p -74.65 -34.31 62.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.24 -34.75 73.24 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.706 -0.398 . . . . 10.0 110.311 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.78 -34.08 73.95 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 177.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -61.78 -45.74 92.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.917 -1.038 . . . . 10.0 111.695 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -26.98 65.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.28 -46.22 86.47 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.17 -27.91 25.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.769 -0.651 . . . . 10.0 112.654 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -73.21 -49.58 27.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.625 0.25 . . . . 10.0 111.438 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.72 -34.05 76.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.197 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.08 -41.22 77.83 Favored 'General case' 0 CA--C 1.527 0.087 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.578 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 92.6 p -71.7 -30.62 65.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.995 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . 0.403 ' O ' HG22 ' D' ' 67' ' ' VAL . 80.2 m-20 -69.14 -40.24 78.37 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.42 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 2.4 p -67.66 -37.51 82.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.629 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . 0.479 ' HA ' HD11 ' D' ' 9' ' ' LEU . 77.2 t -63.59 -36.66 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.022 0.439 . . . . 10.0 110.119 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -71.24 -47.6 56.18 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.709 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . 0.403 HG22 ' O ' ' D' ' 63' ' ' ASN . 61.5 t -65.64 -48.24 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 111.917 0.34 . . . . 10.0 111.917 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -57.61 -37.05 72.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.16 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' D' ' 69' ' ' LYS . 5.5 mmpt? -71.89 -35.37 69.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.661 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -64.36 -37.68 88.38 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.135 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 43.4 mt -72.69 -41.82 62.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.174 -0.467 . . . . 10.0 110.426 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.39 -40.26 93.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.681 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.25 -23.98 61.29 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.837 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.85 -41.93 74.21 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.045 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 36.9 mt -70.11 -37.32 71.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.586 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . 0.573 ' HA ' ' HD2' ' D' ' 79' ' ' PHE . 90.1 mt -63.2 -34.21 65.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.89 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -80.65 -19.06 46.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.995 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -84.62 -10.95 56.88 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.839 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . 0.573 ' HD2' ' HA ' ' D' ' 76' ' ' ILE . 5.1 m-85 -61.54 -85.38 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.983 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.192 -0.908 . . . . 10.0 111.603 179.78 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.838 0.352 . . . . 10.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.5 121.72 35.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -105.82 116.08 60.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.89 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.02 156.46 47.48 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.573 2.182 . . . . 10.0 112.158 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -66.79 113.43 4.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.017 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -148.33 153.08 38.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.044 0.45 . . . . 10.0 111.916 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 -179.32 40.58 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.592 -0.731 . . . . 10.0 111.522 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -67.31 -31.29 71.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.891 0.346 . . . . 10.0 110.478 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -70.61 -31.97 69.14 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.949 179.033 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -72.61 -29.41 63.46 Favored 'General case' 0 C--O 1.23 0.047 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.659 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -74.54 -35.99 63.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.207 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.12 -40.87 78.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.706 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 p -69.48 -38.1 77.53 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.8 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.74 -23.33 56.03 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.222 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -64.17 -49.77 70.77 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.598 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.513 ' O ' HG23 ' A' ' 20' ' ' VAL . 39.0 m-85 -73.65 -28.35 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.593 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.0 -45.22 89.95 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 112.721 0.638 . . . . 10.0 112.721 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -75.12 -27.26 59.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.715 0.293 . . . . 10.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.73 -36.65 83.08 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.179 -0.534 . . . . 10.0 111.96 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 16' ' ' PHE . 33.3 m -118.44 33.33 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.64 -56.71 16.82 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -81.44 -5.28 57.75 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.348 0.594 . . . . 10.0 110.558 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -70.17 -38.19 75.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.069 -0.968 . . . . 10.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -62.25 -35.73 79.86 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.754 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -69.78 -34.59 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.591 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.48 -35.48 77.6 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.845 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.82 -45.33 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.761 0.315 . . . . 10.0 111.181 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 p -71.73 -32.26 67.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.952 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -68.01 -42.82 80.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.83 0.348 . . . . 10.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.8 -24.51 61.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.553 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.19 -41.57 73.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.114 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -70.97 -31.27 67.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.753 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -68.02 -35.52 78.41 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.925 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -25.94 60.44 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.943 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.16 -27.87 66.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.3 4.46 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.956 0.354 . . . . 10.0 111.956 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -115.05 125.16 29.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.676 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.09 -66.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.725 2.284 . . . . 10.0 111.5 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.1 m -126.91 124.34 39.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.634 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -137.44 95.67 11.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.532 . . . . 10.0 111.252 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.07 -37.71 41.09 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.739 2.293 . . . . 10.0 112.68 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.69 -42.22 51.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.919 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.55 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.8 mm? -72.48 -28.21 62.76 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.99 -33.8 63.96 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.669 0.271 . . . . 10.0 111.066 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.73 -37.29 70.61 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.369 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.92 67.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.17 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -69.74 -36.44 75.84 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.884 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -65.06 -43.25 92.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.477 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.504 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 42.7 t -71.4 -40.19 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.333 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -75.46 -22.84 56.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.6 tp -73.81 -42.33 61.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.931 0.396 . . . . 10.0 110.362 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -69.21 -29.1 66.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.693 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.693 ' HG2' ' HA ' ' C' ' 38' ' ' PRO . 54.2 mt-10 -65.95 -38.47 88.71 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.247 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -67.02 -36.49 82.23 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.649 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -66.1 -45.37 81.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.284 -0.871 . . . . 10.0 110.343 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.02 -28.06 67.08 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.561 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -49.17 63.45 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.267 -0.272 . . . . 10.0 110.267 178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -74.72 -36.68 62.67 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -179.439 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -70.51 -45.0 66.45 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.505 0.557 . . . . 10.0 112.505 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.53 64.64 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.83 0.307 . . . . 10.0 111.83 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -68.58 -49.51 58.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.9 p -71.18 -23.97 62.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.97 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -71.65 -45.27 62.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.302 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -70.03 -38.82 75.97 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.48 -46.43 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.743 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' HG2' ' NE2' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -64.13 -42.74 96.7 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -178.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.547 ' CG1' HD22 ' C' ' 55' ' ' ASN . 19.5 t -73.14 -46.78 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 114.606 1.336 . . . . 10.0 114.606 -178.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.589 ' CZ ' ' HB3' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -59.63 -22.76 62.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.423 -0.511 . . . . 10.0 110.391 179.406 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -73.05 -39.02 66.26 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.476 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -67.09 -34.53 77.84 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.951 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.53 ' CD1' ' HA ' ' A' ' 68' ' ' PHE . 12.2 mt -65.01 -45.03 95.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 108.139 -1.059 . . . . 10.0 108.139 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -62.09 -37.06 83.61 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.773 -1.558 . . . . 10.0 112.302 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.51 -28.56 61.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.583 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.85 -48.34 38.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.069 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.557 HG22 ' OE1' ' D' ' 48' ' ' GLN . 6.9 mt -57.87 -37.69 61.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.148 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mt -60.46 -42.97 93.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.835 -1.075 . . . . 10.0 111.28 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -73.07 -28.31 62.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.59 -0.732 . . . . 10.0 112.5 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -69.15 -23.57 63.98 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.34 -0.985 . . . . 10.0 108.34 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.513 ' CZ ' HG21 ' B' ' 67' ' ' VAL . 20.0 t80 -91.5 117.7 29.93 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.191 -0.913 . . . . 10.0 109.511 178.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HG2' ' NZ ' ' C' ' 66' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.462 -0.78 . . . . 10.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.801 0.334 . . . . 10.0 111.083 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.8 123.38 34.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.8 p -107.62 112.88 62.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.268 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.85 152.8 63.99 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.737 2.292 . . . . 10.0 112.135 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -69.25 111.31 5.09 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.15 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -148.47 151.4 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.436 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.93 -171.12 34.37 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.388 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -67.16 -36.23 81.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.658 0.266 . . . . 10.0 111.299 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.463 HD22 ' H ' ' B' ' 9' ' ' LEU . 1.4 pt? -73.15 -33.72 65.66 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.803 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.12 -31.24 67.5 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.846 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -70.37 -36.37 74.1 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.529 -0.759 . . . . 10.0 110.337 179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.1 t -71.22 -32.81 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.554 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' SER . . . . . 0.458 ' HA ' HE21 ' B' ' 61' ' ' GLN . 58.8 m -67.15 -46.41 74.14 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.213 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.76 -22.38 56.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.26 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -54.99 40.73 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.172 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.528 ' HE1' HD23 ' D' ' 34' ' ' LEU . 52.1 m-85 -77.41 -27.99 52.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.358 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.91 -52.2 52.02 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 114.073 1.138 . . . . 10.0 114.073 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 14.0 m -62.96 -23.66 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.31 0.576 . . . . 10.0 110.478 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.77 -43.95 16.6 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.576 -0.738 . . . . 10.0 114.595 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 16' ' ' PHE . 29.5 m -108.59 27.87 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.189 0.518 . . . . 10.0 110.955 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.35 -50.17 72.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.412 -0.813 . . . . 10.0 112.586 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -76.72 -23.78 53.08 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.527 ' O ' HG22 ' B' ' 27' ' ' VAL 0.284 3.3 pp -71.96 -21.45 61.59 Favored 'General case' 0 C--O 1.226 -0.14 0 N-CA-C 113.138 0.792 . . . . 10.0 113.138 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.98 -37.81 88.61 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -73.6 -30.86 63.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.846 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.34 -31.23 69.54 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.96 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.527 HG22 ' O ' ' B' ' 23' ' ' LEU . 60.2 t -67.96 -48.01 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 CA-C-O 120.816 0.341 . . . . 10.0 110.395 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -67.96 -29.39 68.43 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.607 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -71.9 -43.5 65.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.911 0.386 . . . . 10.0 110.436 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.01 -24.25 61.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.491 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.47 -43.26 77.35 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.854 -0.425 . . . . 10.0 109.854 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.86 -31.14 67.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.398 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -66.62 -33.35 75.47 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.878 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.14 -31.7 69.35 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.536 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.87 -15.55 60.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.832 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.96 0.11 19.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.75 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -124.04 128.57 25.04 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.4 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.8 -61.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.771 2.314 . . . . 10.0 110.89 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.9 m -131.41 124.39 30.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.855 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.537 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -136.84 91.05 15.66 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.686 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.1 -35.7 51.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.574 2.183 . . . . 10.0 112.692 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.25 -42.58 54.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.628 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.537 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.0 mm? -72.63 -23.6 60.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.933 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.2 tp -74.53 -33.63 62.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.563 -0.289 . . . . 10.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.05 -35.41 66.72 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.507 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.72 66.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.861 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -72.43 -36.27 68.54 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.601 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.439 ' NE2' ' HG2' ' A' ' 66' ' ' LYS . 20.7 tt0 -65.12 -47.83 75.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.73 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 45.3 t -67.63 -38.82 84.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.427 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -80.35 -22.77 41.09 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 40.1 tp -69.17 -44.93 71.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.336 0.589 . . . . 10.0 109.455 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.0 p -71.92 -27.59 62.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.091 -0.958 . . . . 10.0 110.288 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -64.7 -36.58 84.76 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.931 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.01 -38.64 91.61 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -67.4 -33.13 74.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.111 -0.95 . . . . 10.0 109.56 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -35.7 81.38 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.79 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . 0.486 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 0.4 OUTLIER -70.49 -46.44 63.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.595 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.61 -38.86 58.68 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -70.92 -53.2 15.89 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.88 71.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.536 0.198 . . . . 10.0 111.536 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' B' ' 57' ' ' TYR . 40.3 tt0 -67.55 -45.11 76.6 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.572 -0.285 . . . . 10.0 110.973 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 54.2 p -70.6 -23.1 62.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.71 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.403 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 1.2 m120 -73.54 -49.45 26.42 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 116.632 -0.258 . . . . 10.0 111.028 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 8.5 p -69.93 -42.26 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.302 0.852 . . . . 10.0 113.302 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.61 -41.46 90.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 112.009 0.374 . . . . 10.0 112.009 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -70.71 -33.73 71.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.527 ' O ' HG13 ' B' ' 71' ' ' ILE . 78.4 t -71.42 -52.67 24.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 112.565 0.579 . . . . 10.0 112.565 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . 0.593 ' HA ' HD13 ' B' ' 71' ' ' ILE . 0.0 OUTLIER -58.7 -28.47 65.83 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 123.195 0.309 . . . . 10.0 111.142 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -67.88 -39.66 83.67 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.523 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -76.99 -26.2 53.6 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.321 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' B' ' 68' ' ' PHE . 58.4 mt -68.22 -44.48 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.092 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -69.46 -35.73 75.91 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.793 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.36 71.08 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.483 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.04 -37.81 64.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.904 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 50.5 mt -66.56 -36.11 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.808 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.39 -35.74 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.704 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -72.56 -33.84 67.07 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.061 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -71.6 -25.3 62.11 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.784 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -88.1 126.76 35.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.032 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.091 -0.957 . . . . 10.0 111.674 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.758 0.313 . . . . 10.0 111.106 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.03 125.89 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 19.0 p -114.89 114.62 43.95 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.825 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.28 160.75 32.49 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.857 2.371 . . . . 10.0 111.938 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -68.52 110.6 4.27 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.031 0.443 . . . . 10.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -146.71 152.92 39.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.655 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.27 -168.84 34.99 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.718 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -67.01 -37.57 84.41 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 111.751 0.278 . . . . 10.0 111.751 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.05 -30.17 64.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.617 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.34 -28.47 63.07 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.486 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.37 -35.92 63.55 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.674 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.84 -41.1 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.059 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' SER . . . . . 0.425 ' HA ' HE21 ' C' ' 61' ' ' GLN . 39.1 p -70.02 -38.48 75.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.101 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.01 -23.0 58.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.783 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -64.46 -47.48 78.86 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.016 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . 0.528 ' O ' HG23 ' C' ' 20' ' ' VAL . 37.7 m-85 -75.69 -28.67 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.785 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.61 -43.64 96.31 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -73.28 -28.63 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.885 0.374 . . . . 10.0 111.121 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.86 -37.76 56.76 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.382 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.528 HG23 ' O ' ' C' ' 16' ' ' PHE . 32.9 m -110.13 31.58 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.09 -57.09 13.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.501 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -87.89 -1.71 58.15 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.169 0.509 . . . . 10.0 110.593 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.1 tm? -71.06 -40.74 71.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.93 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.94 -31.9 73.09 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.573 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.1 m -72.86 -32.72 65.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -72.37 -34.03 67.67 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.614 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -65.77 -43.64 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.832 0.349 . . . . 10.0 111.059 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -73.22 -31.06 63.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.543 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.12 -42.24 80.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.565 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.82 61.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.257 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 tp -71.62 -42.03 68.16 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.209 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.65 -31.09 67.89 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.683 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' C' ' 37' ' ' LYS . 2.3 mptm? -66.46 -42.91 86.88 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.646 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 48.4 tp -75.34 -25.04 57.45 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.38 -37.77 26.16 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.455 0.909 . . . . 10.0 113.455 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.47 22.31 5.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' C' ' 33' ' ' LYS . 4.1 mptp? -106.6 116.72 58.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.583 0.23 . . . . 10.0 111.6 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.693 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 49.8 Cg_exo -40.77 -73.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.501 3.467 . . . . 10.0 114.082 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 3.7 p -150.07 125.41 10.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.903 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . 0.537 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.1 OUTLIER -131.46 98.76 17.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.204 -179.625 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.07 -34.36 58.48 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.921 2.414 . . . . 10.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.2 -41.84 48.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.431 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.537 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.9 mm? -72.48 -26.01 61.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.13 -0.486 . . . . 10.0 112.075 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.49 -34.25 63.04 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.687 0.279 . . . . 10.0 110.721 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -37.96 68.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.191 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.97 -33.93 66.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.124 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -68.83 -40.73 79.29 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.323 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -65.06 -41.91 94.71 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 123.511 0.507 . . . . 10.0 112.125 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.4 t -67.38 -45.88 74.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -76.33 -17.39 59.44 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.119 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -43.21 57.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.791 0.329 . . . . 10.0 110.66 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -71.82 -28.56 63.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.067 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.67 -37.16 83.06 Favored 'General case' 0 N--CA 1.461 0.082 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -68.64 -38.4 80.45 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . 0.547 HD22 ' CG1' ' A' ' 67' ' ' VAL . 5.8 m-20 -62.01 -55.07 33.03 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.057 -0.974 . . . . 10.0 111.283 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -65.7 -28.01 68.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 10.0 112.214 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.39 -50.98 65.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.591 0.234 . . . . 10.0 111.056 179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.79 -29.98 40.48 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.059 0.762 . . . . 10.0 113.059 -178.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -72.81 -41.51 64.82 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.68 -32.36 57.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.145 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . 0.47 ' O ' HG22 ' C' ' 65' ' ' VAL . 55.0 tt0 -64.46 -47.11 80.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.971 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' SER . . . . . 0.414 ' HB2' ' OE1' ' D' ' 48' ' ' GLN . 79.9 p -70.9 -27.26 63.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.605 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -48.38 66.81 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.021 0.438 . . . . 10.0 110.723 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' THR . . . . . 0.532 ' O ' ' HB3' ' C' ' 68' ' ' PHE . 12.9 m -66.43 -37.61 85.56 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.699 -0.682 . . . . 10.0 111.741 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . 0.67 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 90.9 t -65.06 -63.28 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . 0.451 ' NZ ' ' HG2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -63.22 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.291 1.219 . . . . 10.0 114.291 -177.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.57 -36.33 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . 0.532 ' HB3' ' O ' ' C' ' 64' ' ' THR . 0.0 OUTLIER -70.33 -21.47 62.91 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.992 0.425 . . . . 10.0 109.882 178.117 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.67 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 66.1 mmtt -70.98 -36.06 72.35 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.307 178.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -66.81 -32.24 73.39 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.681 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.32 -44.99 86.9 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.261 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.32 -31.77 70.44 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.426 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.89 -29.64 65.78 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.26 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.69 -35.53 60.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.83 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.96 -42.97 89.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.251 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pp -72.82 -22.36 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.532 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -76.53 -31.28 57.53 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.024 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -75.16 -24.4 57.92 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.945 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -84.46 113.49 21.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.24 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.147 -0.93 . . . . 10.0 111.812 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.788 0.328 . . . . 10.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.69 125.8 36.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 23.2 p -107.44 113.5 61.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.195 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.69 154.49 64.04 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.671 2.247 . . . . 10.0 112.131 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -70.1 111.15 5.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m -149.33 152.7 36.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.768 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.43 -170.46 35.52 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.825 -0.702 . . . . 10.0 112.214 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -66.97 -34.34 77.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.708 0.29 . . . . 10.0 111.32 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.48 ' HB3' ' CZ ' ' D' ' 68' ' ' PHE . 1.1 pt? -73.32 -32.08 64.38 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.013 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -72.02 -29.74 64.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.535 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.64 -39.65 61.97 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.949 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.52 -43.26 94.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.834 0.349 . . . . 10.0 111.006 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 48.5 p -68.18 -34.59 76.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.064 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.17 -27.98 59.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.423 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -62.98 -46.31 88.29 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.858 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . 0.546 ' O ' HG23 ' D' ' 20' ' ' VAL . 43.8 m-85 -77.52 -29.19 52.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.236 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.54 -51.15 61.99 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -75.06 -23.82 58.14 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.723 0.297 . . . . 10.0 111.458 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.15 82.12 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.81 -0.709 . . . . 10.0 111.949 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . 0.546 HG23 ' O ' ' D' ' 16' ' ' PHE . 34.2 m -116.01 33.46 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 121.06 0.457 . . . . 10.0 111.298 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.93 -57.05 14.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.674 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -80.71 -5.6 57.27 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.167 0.508 . . . . 10.0 110.849 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . 0.521 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 1.8 tm? -71.26 -36.97 71.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.667 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -65.38 -33.06 75.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.16 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -71.84 -34.02 68.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.44 -31.17 68.24 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.679 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.14 -43.55 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.284 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 22.3 p -72.12 -29.92 64.55 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.539 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -71.94 -41.84 67.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.75 -28.72 67.06 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.665 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.626 HD12 ' HH ' ' D' ' 47' ' ' TYR . 14.1 tp -70.03 -38.44 75.87 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.361 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.67 -32.84 68.3 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.61 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' D' ' 37' ' ' LYS . 32.6 mmtp -65.71 -38.11 88.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.498 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.528 HD23 ' HE1' ' B' ' 16' ' ' PHE . 1.9 mt -65.65 -25.05 67.18 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.04 -51.44 42.25 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.01 18.05 21.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.973 0.731 . . . . 10.0 112.973 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' D' ' 33' ' ' LYS . 13.6 mptt -117.75 103.82 50.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.381 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.85 -68.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.072 2.514 . . . . 10.0 112.877 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -111.19 128.58 55.96 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 110.389 -0.226 . . . . 10.0 110.389 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.776 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 51.9 m-20 -136.02 105.9 9.61 Favored Pre-proline 0 C--O 1.219 -0.545 0 N-CA-C 114.264 1.209 . . . . 10.0 114.264 -177.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -65.55 -45.14 7.32 Favored 'Trans proline' 0 C--N 1.33 -0.397 0 C-N-CA 121.979 1.786 . . . . 10.0 111.347 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.42 -56.78 4.18 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 113.509 0.929 . . . . 10.0 113.509 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.56 -33.25 74.58 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.587 1.328 . . . . 10.0 114.587 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.776 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.0 OUTLIER -69.13 -42.45 75.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.954 0.353 . . . . 10.0 111.954 -179.355 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.43 -31.43 62.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.455 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.49 -40.96 69.86 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . 0.626 ' HH ' HD12 ' D' ' 31' ' ' LEU . 75.7 t80 -68.68 -32.91 73.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.556 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . 0.557 ' OE1' HG22 ' A' ' 75' ' ' ILE . 18.8 tt0 -63.16 -42.89 99.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.252 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 42.0 t -75.35 -38.26 60.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.796 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . 0.424 ' HD2' ' CD2' ' D' ' 23' ' ' LEU . 34.7 mmtm -74.58 -31.49 62.08 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . 0.42 HD22 ' CZ ' ' A' ' 79' ' ' PHE . 42.1 tp -73.35 -42.03 62.75 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.652 0.263 . . . . 10.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 89.4 p -68.64 -28.6 67.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.425 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.1 -36.3 83.87 Favored 'General case' 0 C--N 1.338 0.075 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -65.79 -34.05 77.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.001 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.12 -54.4 45.0 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.929 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -69.55 -26.88 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.55 0.944 . . . . 10.0 113.55 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -58.98 -45.88 89.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -36.21 25.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.498 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.5 -51.51 50.19 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.09 -33.38 73.42 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.887 0.329 . . . . 10.0 111.887 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.49 -54.0 43.2 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.666 -0.243 . . . . 10.0 110.966 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 83.4 p -70.94 -22.1 62.26 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . 0.409 ' O ' HG22 ' D' ' 67' ' ' VAL . 17.9 t-20 -69.63 -52.52 25.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.077 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.68 -37.14 86.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.267 -0.424 . . . . 10.0 112.1 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' D' ' 69' ' ' LYS . 96.2 t -62.96 -37.9 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.829 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -34.19 63.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.375 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . 0.409 HG22 ' O ' ' D' ' 63' ' ' ASN . 93.6 t -70.11 -52.79 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.728 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' D' ' 9' ' ' LEU . 0.2 OUTLIER -64.8 -23.89 67.38 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.781 0.324 . . . . 10.0 111.398 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' D' ' 65' ' ' VAL . 15.8 tptt -69.79 -35.36 74.8 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.846 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -77.49 -29.04 52.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.625 -0.716 . . . . 10.0 111.258 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.14 -44.11 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.443 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.2 -36.36 81.56 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.176 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.63 67.27 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.488 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.91 -36.94 64.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.059 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 62.5 mt -68.07 -35.5 71.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.668 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 90.0 mt -69.87 -33.34 55.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.507 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -73.39 -31.03 63.66 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.251 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -73.76 -25.67 60.28 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.974 0.416 . . . . 10.0 110.503 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -88.86 125.46 34.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.566 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.152 -0.928 . . . . 10.0 111.556 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.769 0.318 . . . . 10.0 111.083 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.73 138.23 31.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.575 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.0 p -98.96 117.74 63.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.453 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.13 140.28 30.83 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.692 2.261 . . . . 10.0 112.243 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.555 ' CZ2' HD22 ' B' ' 23' ' ' LEU . 0.6 OUTLIER -73.79 111.48 8.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.065 -179.89 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -149.89 154.33 38.16 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.82 171.0 35.7 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 111.197 -0.761 . . . . 10.0 111.197 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -66.74 -46.03 76.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.159 0.48 . . . . 10.0 111.626 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.62 -29.56 61.34 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.713 0.292 . . . . 10.0 110.627 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.11 -35.74 69.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.02 0.438 . . . . 10.0 109.898 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 28.1 t70 -73.09 -41.78 63.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.424 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.19 -28.22 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 111.763 0.283 . . . . 10.0 111.763 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -71.61 -37.61 70.92 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.26 -23.5 59.14 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.147 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.684 ' HZ2' ' HB2' ' C' ' 35' ' ' ALA . 5.2 mmmp? -63.35 -47.02 83.86 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.551 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -73.62 -30.57 63.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.203 -0.908 . . . . 10.0 111.355 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.67 -51.81 56.5 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 m -73.4 -23.35 60.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.109 0.481 . . . . 10.0 109.759 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.44 -52.11 42.66 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.35 -0.841 . . . . 10.0 113.241 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 17.3 m -112.73 32.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.2 -55.45 31.95 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.555 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -72.57 -18.57 61.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.218 0.532 . . . . 10.0 110.454 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.91 -34.33 71.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.348 -0.842 . . . . 10.0 110.795 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 87.0 mm-40 -61.04 -47.73 85.04 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.927 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -68.22 -26.39 65.68 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.567 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -70.91 -30.37 66.69 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.648 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 67.7 t -69.5 -45.17 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-O 120.832 0.348 . . . . 10.0 110.257 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -73.36 -24.84 60.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.623 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -76.29 -39.46 54.14 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.889 0.376 . . . . 10.0 110.489 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.65 -24.49 58.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.406 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.67 -36.61 67.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.334 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.56 -37.59 74.01 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.651 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -71.13 -33.44 70.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.098 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -35.26 73.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.321 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.78 -25.4 61.16 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.93 0.12 57.48 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.89 0.33 . . . . 10.0 111.89 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -125.74 142.7 42.85 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.84 -65.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.648 2.232 . . . . 10.0 111.846 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 p -150.11 125.51 10.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.047 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.726 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 1.1 m-20 -128.13 114.84 20.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.63 -34.72 62.24 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.306 2.004 . . . . 10.0 111.72 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.83 56.21 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.906 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.726 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 4.1 mm? -72.01 -29.08 63.84 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.0 -32.1 56.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.742 -0.208 . . . . 10.0 111.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.04 -37.03 64.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.915 0.388 . . . . 10.0 110.67 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.42 -39.95 64.63 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.856 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -69.87 -33.44 72.24 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.108 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -64.13 -43.18 96.08 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.698 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.0 t -70.98 -38.59 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.934 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -74.05 -23.2 59.34 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -74.44 -38.76 62.91 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.827 0.346 . . . . 10.0 110.665 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.4 p -71.34 -29.61 65.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.84 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.76 -36.57 78.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.933 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -69.98 -36.23 75.02 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.673 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.475 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 15.3 t30 -65.29 -35.25 80.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.221 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.57 -31.5 63.65 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.502 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.54 -48.69 68.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.094 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.28 -28.02 61.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.686 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -76.12 -44.8 36.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.798 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.28 -31.28 71.49 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.824 0.345 . . . . 10.0 111.142 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -71.14 -44.8 64.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.796 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.9 p -71.39 -26.83 62.94 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.078 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -41.93 61.91 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.314 -0.403 . . . . 10.0 112.042 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.1 p -67.97 -38.59 82.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.2 t -71.27 -28.96 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 10.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -72.99 -47.53 44.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -72.54 -39.43 61.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.92 0.391 . . . . 10.0 111.386 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.657 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 10.3 t80 -65.09 -45.3 85.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.705 -0.679 . . . . 10.0 111.707 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -67.95 -33.79 75.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.524 0.564 . . . . 10.0 112.524 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.86 -54.06 51.17 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.939 0.4 . . . . 10.0 111.038 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -67.61 -37.45 78.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.179 -179.405 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.11 -36.05 83.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.756 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.28 75.55 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.51 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.15 81.34 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 10.0 110.718 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.47 HG22 ' OE1' ' D' ' 48' ' ' GLN . 25.8 mt -66.45 -36.89 78.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.549 0.69 . . . . 10.0 109.496 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.537 HD13 HD23 ' D' ' 44' ' ' LEU . 0.9 OUTLIER -55.43 -47.15 78.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 114.508 -1.224 . . . . 10.0 112.389 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.23 -10.26 59.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.652 -0.419 . . . . 10.0 112.059 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -70.39 -24.0 62.87 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.667 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 25.8 m-85 -69.41 87.76 0.46 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.201 -1.363 . . . . 10.0 110.279 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.069 -0.967 . . . . 10.0 111.957 -179.742 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.733 0.302 . . . . 10.0 110.919 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.87 141.72 29.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.6 p -106.07 113.4 63.63 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.35 142.97 42.25 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.729 2.286 . . . . 10.0 112.407 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -70.85 111.55 6.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.13 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -141.28 149.35 41.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.947 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.51 167.01 28.53 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.98 -0.628 . . . . 10.0 112.188 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -66.96 -48.83 67.33 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -75.09 -26.1 59.04 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.764 0.316 . . . . 10.0 111.058 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -72.53 -38.36 68.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.124 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -73.35 -36.25 66.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.839 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.729 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 0.9 OUTLIER -67.84 -28.1 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.028 0.442 . . . . 10.0 111.242 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 70.7 m -74.23 -36.84 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.33 -33.58 61.14 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.461 -0.79 . . . . 10.0 112.295 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . 0.729 ' HG2' ' HA ' ' B' ' 12' ' ' VAL . 0.0 OUTLIER -64.38 -39.0 93.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.729 0.299 . . . . 10.0 110.969 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -75.33 -29.95 60.13 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.373 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -65.81 -54.04 32.13 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.943 1.09 . . . . 10.0 113.943 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -71.67 -22.39 61.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.253 0.549 . . . . 10.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.55 -51.71 34.91 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 115.24 -0.891 . . . . 10.0 115.083 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.401 ' O ' ' HG2' ' B' ' 24' ' ' GLN . 22.7 m -110.74 28.0 2.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 120.968 0.413 . . . . 10.0 111.781 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.6 -39.04 93.36 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.066 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -72.92 -35.95 67.15 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.555 HD22 ' CZ2' ' A' ' 5' ' ' TRP 0.277 2.2 pp -71.63 -21.77 61.78 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' B' ' 20' ' ' VAL . 86.2 mm-40 -58.86 -48.28 81.91 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 10.0 110.267 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.2 t -72.99 -25.95 61.17 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.538 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -70.69 -29.42 65.71 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.444 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.544 HG22 ' O ' ' B' ' 23' ' ' LEU . 87.4 t -71.48 -45.62 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 31.3 p -71.39 -24.95 62.16 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.151 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.63 -38.45 54.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.231 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.88 -25.31 58.86 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.47 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.99 -36.02 66.99 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.846 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.36 -38.96 78.34 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.07 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -71.44 -26.4 62.71 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.065 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -40.21 69.07 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.552 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.74 -19.46 59.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.763 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.15 -10.46 49.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.774 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -122.19 148.03 50.95 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.205 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -65.33 -59.92 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.702 2.268 . . . . 10.0 111.426 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p -157.97 125.82 5.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.702 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.26 112.25 11.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.249 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.61 -29.32 69.96 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.815 2.343 . . . . 10.0 112.906 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.0 -43.63 61.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.69 -26.83 61.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.594 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.81 -32.08 61.88 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.541 -0.3 . . . . 10.0 111.332 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.91 -36.6 64.74 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.361 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.68 -39.48 64.37 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.632 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -70.37 -32.68 70.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.855 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -61.91 -49.46 76.1 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.344 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.0 p -69.41 -37.81 77.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.277 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -71.99 -27.36 62.7 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.15 -39.86 71.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.511 . . . . 10.0 109.712 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -72.7 -28.41 62.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.437 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.88 -35.98 77.54 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.161 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.89 -34.57 76.92 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.634 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 64.0 t30 -66.36 -28.83 68.96 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.364 -0.835 . . . . 10.0 109.749 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -43.32 87.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.673 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.26 -52.22 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.738 -0.664 . . . . 10.0 112.522 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -23.97 62.14 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.634 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 1.1 t-20 -78.97 -61.7 1.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.901 1.074 . . . . 10.0 113.901 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.12 -31.23 68.75 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.541 0.21 . . . . 10.0 110.543 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.08 -50.08 67.55 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.785 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 95.8 p -70.68 -27.47 64.04 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.967 0.413 . . . . 10.0 111.177 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.667 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 3.4 m120 -73.55 -39.14 64.94 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.401 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -71.01 -40.17 71.97 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.22 -30.52 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.595 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -67.09 -45.13 78.2 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.579 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.82 -44.63 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-O 120.787 0.327 . . . . 10.0 111.498 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -63.51 -50.71 68.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 10.0 112.372 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -33.9 77.0 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 113.192 0.812 . . . . 10.0 113.192 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.87 -57.45 12.73 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.874 0.368 . . . . 10.0 111.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 1.8 pp -71.33 -26.97 27.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.64 -34.71 74.42 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 10.0 110.262 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.36 68.18 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.493 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.72 84.81 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.828 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 4.4 mt -71.8 -38.21 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.784 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.45 -41.19 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.73 -17.72 59.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.086 -0.507 . . . . 10.0 110.709 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -75.07 -27.04 59.79 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.713 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -74.74 97.98 3.36 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.684 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.124 -0.941 . . . . 10.0 111.53 -179.785 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.667 0.27 . . . . 10.0 111.066 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.22 137.37 32.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 22.0 p -102.48 118.24 59.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.74 157.19 44.03 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.836 2.357 . . . . 10.0 112.776 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -75.86 111.31 11.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.632 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -137.14 148.36 46.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 10.0 111.397 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.03 165.09 25.84 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.309 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.93 -44.84 79.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.693 0.282 . . . . 10.0 111.623 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.91 -29.34 60.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.846 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -71.76 -33.42 68.62 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.504 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' C' ' 15' ' ' LYS . 26.8 t70 -72.74 -44.87 61.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.093 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.14 -27.95 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 112.057 0.392 . . . . 10.0 112.057 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m -69.84 -37.85 76.32 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.19 -23.98 61.35 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.803 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.499 ' HZ2' ' HB3' ' C' ' 15' ' ' LYS . 3.2 mmmp? -65.29 -43.26 91.71 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . 0.446 ' HB3' ' CD1' ' C' ' 57' ' ' TYR . 31.0 m-85 -77.39 -33.06 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.448 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -64.82 -45.07 87.76 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.533 0.568 . . . . 10.0 112.533 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -79.4 -25.75 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 10.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.29 -47.91 55.44 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.722 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.437 HG23 ' O ' ' C' ' 16' ' ' PHE . 30.4 m -109.19 31.84 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.16 -55.94 26.5 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.241 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -77.97 -14.1 59.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.574 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.14 -35.2 71.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.49 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' C' ' 20' ' ' VAL . 87.7 mm-40 -61.01 -47.66 85.43 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.755 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -68.13 -26.01 65.58 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.412 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -71.44 -29.31 64.72 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.564 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.67 -45.64 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.934 0.397 . . . . 10.0 110.304 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 28.4 p -72.75 -25.78 61.32 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.507 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -75.38 -38.71 59.81 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.547 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.25 -24.24 60.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.506 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.1 -36.53 69.51 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.069 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.53 -39.39 81.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.299 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -71.59 -40.62 69.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.784 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.12 -52.78 53.33 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . 0.684 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . . . -68.97 -19.34 64.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -178.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.45 12.41 31.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.338 0.589 . . . . 10.0 111.843 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -135.15 138.46 29.25 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.444 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -54.39 -70.99 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 123.182 2.588 . . . . 10.0 113.688 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 22.1 m -141.4 125.73 17.56 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.733 0.301 . . . . 10.0 111.366 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . 0.593 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 2.4 m-20 -132.13 104.4 13.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.159 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -64.18 -33.14 61.78 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.227 1.951 . . . . 10.0 112.244 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.33 -37.25 60.84 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.911 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.593 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.1 mm? -72.45 -28.46 62.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.76 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.4 -32.97 62.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.628 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.95 -37.98 64.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.043 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.51 66.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.187 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -71.67 -33.33 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.273 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -62.9 -47.94 81.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.77 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.3 t -67.96 -39.07 83.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.354 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -73.85 -22.2 59.84 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.39 -40.88 66.89 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.748 0.308 . . . . 10.0 110.742 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 52.5 p -74.05 -28.42 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.017 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.79 -36.61 83.69 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . 0.613 ' HH ' ' HB2' ' D' ' 41' ' ' PRO . 41.9 t80 -73.64 -33.03 64.32 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.192 -0.913 . . . . 10.0 108.679 177.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -65.23 -43.04 92.7 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.203 -0.908 . . . . 10.0 111.025 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.16 -28.61 61.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' C' ' 16' ' ' PHE . 0.5 OUTLIER -67.04 -49.73 64.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.719 0.295 . . . . 10.0 111.265 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.475 ' HB2' HD11 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -72.38 -33.49 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.773 -179.219 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.31 -33.73 71.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.79 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.3 -29.93 65.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.206 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -72.34 -45.11 61.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 58.5 p -70.0 -24.89 63.37 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.706 0.289 . . . . 10.0 110.692 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -46.86 29.67 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.901 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 15.6 p -65.1 -38.46 90.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.94 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.77 -28.49 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 120.856 0.36 . . . . 10.0 110.603 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -75.6 -47.96 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.875 0.694 . . . . 10.0 112.875 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 18.2 m -72.57 -38.57 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 113.193 0.812 . . . . 10.0 113.193 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -68.61 -40.47 80.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.812 0.339 . . . . 10.0 110.924 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' C' ' 69' ' ' LYS . 26.1 mmtp -72.64 -33.52 66.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.92 0.711 . . . . 10.0 112.92 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.98 -50.93 71.69 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.83 0.348 . . . . 10.0 110.892 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 28.6 pt -74.9 -26.01 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.95 -33.65 68.36 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.801 0.334 . . . . 10.0 110.615 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.38 71.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.365 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.14 87.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.811 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.73 -38.83 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.822 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.94 -39.02 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.455 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -71.71 -19.11 62.1 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.818 0.342 . . . . 10.0 110.393 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -73.81 -29.26 62.06 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.026 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -67.78 97.3 0.63 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.6 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.353 -0.832 . . . . 10.0 111.143 -179.436 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.74 0.305 . . . . 10.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.67 140.89 29.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.191 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 20.5 p -104.68 114.25 64.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.002 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.8 145.01 44.95 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.667 2.245 . . . . 10.0 112.262 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -72.23 111.3 7.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.939 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -141.29 148.17 39.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.908 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.69 165.76 28.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.86 -0.686 . . . . 10.0 112.288 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -66.92 -47.44 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.676 0.25 . . . . 10.0 111.676 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -74.8 -26.74 59.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.248 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.15 -38.73 69.12 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.544 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . 0.441 ' O ' ' HG2' ' D' ' 15' ' ' LYS . 30.8 t70 -70.45 -41.07 73.31 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.808 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.1 t -60.09 -39.84 81.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.252 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 67.7 m -66.04 -41.44 90.87 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.614 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.8 -24.65 63.52 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.557 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . 0.538 ' HB3' ' HZ2' ' D' ' 15' ' ' LYS . 4.6 mmmp? -68.57 -38.93 81.13 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.79 0.329 . . . . 10.0 110.536 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -77.71 -33.8 52.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.898 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -64.89 -49.97 68.39 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.09 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -78.46 -27.41 46.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.592 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.99 -47.37 89.3 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.125 -0.559 . . . . 10.0 113.078 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 28.8 m -115.55 32.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 10.0 111.735 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.55 -45.19 92.55 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.434 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -75.38 -19.46 59.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.471 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -71.71 -32.91 68.31 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.143 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.75 -45.62 91.66 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.314 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -72.89 -26.04 61.29 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.307 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -71.78 -30.61 65.73 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.461 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t -72.16 -43.25 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.394 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 35.3 p -73.39 -24.78 60.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.198 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.96 -36.58 56.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.672 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.94 -29.79 58.46 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.573 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -35.89 70.26 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.475 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.28 -38.9 71.8 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.825 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -66.86 -47.57 71.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.986 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -57.97 -24.36 57.72 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.675 0.61 . . . . 10.0 112.577 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . 0.685 ' HA ' ' HZ3' ' B' ' 15' ' ' LYS . . . -49.66 -52.9 27.54 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.352 . . -99.73 26.2 6.46 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 115.972 1.842 . . . . 10.0 115.972 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -131.02 110.77 15.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.203 -1.036 . . . . 10.0 108.203 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . 0.43 ' HG3' ' CZ3' ' A' ' 5' ' ' TRP . 18.7 Cg_endo -57.32 -74.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.944 2.429 . . . . 10.0 113.634 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -107.58 133.4 52.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.684 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 7.8 m-20 -135.69 110.18 10.27 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.657 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 42.7 Cg_endo -68.6 -45.59 2.33 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 122.74 2.293 . . . . 10.0 110.689 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.401 ' HA ' ' CZ ' ' C' ' 58' ' ' ARG . . . -78.1 -52.37 8.84 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.812 -1.086 . . . . 10.0 112.436 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.7 mm? -64.12 -28.82 70.03 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.684 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -81.8 -35.9 29.0 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 179.564 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.27 -34.54 65.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.876 0.37 . . . . 10.0 110.455 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.36 -37.83 65.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.172 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 12.9 t80 -70.72 -32.75 70.06 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.116 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . 0.47 ' OE1' HG22 ' A' ' 75' ' ' ILE . 7.5 tt0 -63.31 -40.74 98.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.269 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 23.9 t -75.03 -40.03 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.417 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -74.51 -24.61 59.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 0.5 OUTLIER -74.32 -37.73 63.5 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.017 0.437 . . . . 10.0 109.908 179.123 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 91.6 p -73.4 -28.89 62.25 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.356 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.0 -36.5 72.49 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.235 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -72.39 -28.59 63.09 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -59.88 -48.85 80.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.42 -1.264 . . . . 10.0 110.968 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -27.48 59.22 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 113.607 0.966 . . . . 10.0 113.607 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -57.18 -44.46 83.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 10.0 110.395 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -81.34 -29.73 34.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.775 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -75.79 -43.0 48.47 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.45 70.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.541 -0.299 . . . . 10.0 110.671 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -69.72 -40.51 76.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.361 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 91.2 p -71.12 -25.69 62.69 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.927 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.31 -42.5 44.95 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.986 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -62.1 -38.04 87.36 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.646 0.26 . . . . 10.0 111.599 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.64 -29.91 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.768 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -70.9 -41.25 71.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.686 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -74.12 -46.85 43.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.586 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.38 -49.7 72.8 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.879 0.696 . . . . 10.0 112.879 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -64.53 -33.78 76.7 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 113.115 0.783 . . . . 10.0 113.115 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.19 -54.51 43.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.592 0.234 . . . . 10.0 111.532 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 32.6 pt -70.19 -29.28 38.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.842 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -71.46 -34.36 70.16 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.62 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.94 76.81 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.807 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.92 -39.23 90.34 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.748 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 42.0 mt -70.95 -36.39 63.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.912 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.39 -40.79 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.088 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.88 -18.72 60.38 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.038 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.79 -30.25 65.33 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.167 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -70.09 99.74 1.52 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.494 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.179 -0.915 . . . . 10.0 111.459 -179.83 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.82 0.343 . . . . 10.0 110.739 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.09 100.59 11.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.3 p -127.65 130.87 23.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.158 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.4 153.23 61.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.513 2.142 . . . . 10.0 111.839 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -78.56 119.61 22.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.393 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -130.9 143.17 50.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.28 160.31 30.8 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.316 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -66.95 -33.05 74.73 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.728 0.299 . . . . 10.0 111.009 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.692 ' H ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -66.79 -31.69 72.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.878 179.186 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.3 -33.15 67.18 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.947 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.23 -37.3 80.68 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.653 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.13 -38.1 79.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.879 0.371 . . . . 10.0 110.688 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.447 ' HB3' HE21 ' A' ' 61' ' ' GLN . 60.3 m -66.12 -37.89 86.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.319 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.1 57.63 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.469 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -64.09 -51.81 62.25 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.798 0.332 . . . . 10.0 110.781 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 20' ' ' VAL . 20.7 m-85 -69.16 -29.36 67.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.396 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.42 -39.15 91.77 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.747 -0.661 . . . . 10.0 112.493 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.0 m -68.78 -32.43 72.16 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.646 0.26 . . . . 10.0 110.669 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.78 -30.48 74.55 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.649 -0.581 . . . . 10.0 111.649 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.499 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 28.0 m -120.15 33.38 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.21 -56.16 25.67 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.42 0.896 . . . . 10.0 113.42 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -81.2 -0.24 39.62 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.395 0.617 . . . . 10.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -71.17 -36.67 72.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.837 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -56.33 -46.94 79.67 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -72.3 -26.48 61.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.268 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.23 -32.02 69.7 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.994 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.3 t -68.33 -46.47 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.365 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -68.0 -30.68 69.99 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.908 -0.587 . . . . 10.0 112.031 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -76.07 -41.13 51.52 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.169 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.0 71.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 ' HH ' ' A' ' 47' ' ' TYR . 57.7 tp -73.07 -36.66 66.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.668 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.71 -39.0 80.68 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.522 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -71.2 -40.2 71.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.406 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -28.64 67.95 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.601 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.69 -22.78 63.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.846 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.84 -2.42 18.46 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -107.95 123.5 37.54 Favored Pre-proline 0 N--CA 1.462 0.174 0 CA-C-N 116.609 -0.269 . . . . 10.0 111.427 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -61.9 -64.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.918 2.412 . . . . 10.0 111.818 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 p -140.45 123.73 16.8 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.936 0.398 . . . . 10.0 111.064 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.27 112.85 8.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.457 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -62.48 -38.85 49.4 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.413 2.076 . . . . 10.0 112.491 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.35 -41.22 57.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.71 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.696 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 4.2 mm? -72.12 -25.25 61.65 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.243 0.461 . . . . 10.0 112.243 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.4 tp -74.77 -38.97 62.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.921 0.391 . . . . 10.0 110.372 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.9 -31.59 63.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.294 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.81 65.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.009 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.499 ' HH ' HD12 ' A' ' 31' ' ' LEU . 63.2 t80 -69.51 -35.11 75.2 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.307 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -69.05 -45.86 69.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.329 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 41.5 t -68.87 -41.83 77.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.378 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -69.49 -29.55 67.22 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.91 0.708 . . . . 10.0 112.91 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -73.33 -29.7 62.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.951 0.405 . . . . 10.0 110.33 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.8 m -73.84 -30.03 62.45 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.56 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.538 ' HG2' ' HA ' ' C' ' 38' ' ' PRO . 34.9 mt-10 -70.56 -36.83 73.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.623 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.05 -35.12 77.72 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.45 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 27.4 t30 -64.53 -46.62 82.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.181 -0.918 . . . . 10.0 110.462 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.98 -28.46 65.55 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -53.37 47.25 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.711 -0.222 . . . . 10.0 111.111 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -29.03 59.36 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.292 0.479 . . . . 10.0 112.292 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -69.91 -45.18 68.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.588 -0.278 . . . . 10.0 111.202 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.33 65.0 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.112 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.447 HE21 ' HB3' ' A' ' 13' ' ' SER . 61.5 tt0 -70.99 -42.97 68.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.9 p -71.72 -26.89 62.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.893 0.378 . . . . 10.0 110.86 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -74.63 -36.03 62.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.729 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.8 p -70.45 -42.59 71.29 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.79 -31.0 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.8 0.333 . . . . 10.0 110.933 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -75.38 -48.08 24.58 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.1 t -75.37 -41.1 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.676 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 77.5 t80 -62.37 -39.47 93.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.297 0.57 . . . . 10.0 111.407 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' HG3' ' OG ' ' B' ' 52' ' ' SER . 0.3 OUTLIER -66.72 -35.82 81.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.551 179.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -66.76 -27.86 67.94 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.035 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.85 -54.49 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.546 0.689 . . . . 10.0 109.994 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.587 ' O ' HG22 ' A' ' 76' ' ' ILE . 20.4 m-20 -64.36 -30.49 71.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.372 -1.286 . . . . 10.0 112.699 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' O ' HG12 ' A' ' 76' ' ' ILE . . . -59.26 -40.68 86.79 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.091 0.472 . . . . 10.0 111.539 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.655 ' O ' ' HG2' ' A' ' 77' ' ' GLN . . . -75.56 -28.06 58.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.929 0.395 . . . . 10.0 111.127 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.468 ' HA ' ' ND2' ' A' ' 78' ' ' ASN . 8.2 mt -68.43 -34.1 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.075 0.464 . . . . 10.0 110.636 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.701 HD12 HD22 ' B' ' 55' ' ' ASN . 9.8 pt -74.96 -24.94 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.482 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 74' ' ' ALA . 2.6 pt20 -68.9 -27.82 66.12 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 75' ' ' ILE . 6.8 m-20 -73.93 -33.68 64.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.299 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -66.21 143.8 57.02 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.647 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.139 -0.934 . . . . 10.0 111.498 179.111 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.667 0.27 . . . . 10.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.82 100.75 11.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.039 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 17.5 p -126.73 130.48 23.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.181 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -70.31 147.02 58.38 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.679 2.253 . . . . 10.0 112.043 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -76.56 119.7 20.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.378 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 44.3 m -129.43 145.24 51.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.538 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.7 163.28 34.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.966 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -67.07 -35.63 80.24 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.841 0.353 . . . . 10.0 111.012 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.446 HD22 ' H ' ' B' ' 9' ' ' LEU . 0.8 OUTLIER -69.52 -31.69 70.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.121 179.676 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.78 -33.2 66.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.672 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.73 -40.06 80.07 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.421 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -28.02 30.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.935 0.398 . . . . 10.0 111.511 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 72.7 m -70.41 -37.18 74.42 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.57 57.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.359 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -59.07 -55.14 38.87 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.925 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . 0.435 ' O ' HG23 ' B' ' 20' ' ' VAL . 10.2 m-85 -72.8 -28.71 62.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.973 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.69 -48.81 70.78 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.7 m -62.22 -27.37 68.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.857 0.36 . . . . 10.0 111.659 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.35 -31.84 58.68 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.749 -0.738 . . . . 10.0 112.249 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.451 ' HB ' HD22 ' B' ' 23' ' ' LEU . 27.0 m -115.74 31.91 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.055 0.455 . . . . 10.0 110.364 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.17 -54.7 43.97 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.57 -0.741 . . . . 10.0 112.476 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -78.25 -2.84 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.533 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.451 HD22 ' HB ' ' B' ' 20' ' ' VAL . 23.2 tp -72.32 -32.93 66.98 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.804 0.668 . . . . 10.0 112.804 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -55.83 -48.19 75.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.824 0.345 . . . . 10.0 111.395 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -73.62 -26.58 60.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.068 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -72.01 -37.75 69.72 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.702 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.78 -32.61 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.688 -0.233 . . . . 10.0 111.496 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 32.0 p -77.08 -29.57 55.06 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.755 0.312 . . . . 10.0 110.709 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -77.13 -36.54 55.33 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.362 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.02 -31.48 70.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.631 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.432 HD12 ' HH ' ' B' ' 47' ' ' TYR . 52.1 tp -73.1 -36.16 66.73 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.239 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.02 -38.78 76.01 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.571 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -71.41 -33.94 69.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.202 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -31.03 67.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.49 -16.34 60.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.412 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.59 -6.98 20.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.309 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -106.61 129.5 24.35 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.379 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -63.22 -54.98 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.684 2.256 . . . . 10.0 110.705 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.9 p -154.57 124.07 6.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.974 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.55 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 3.4 t70 -137.18 109.49 8.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.647 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.63 -35.6 79.95 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.714 2.276 . . . . 10.0 112.513 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.63 -44.43 56.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.304 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.55 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.6 mm? -72.33 -20.66 61.45 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -75.73 -44.72 40.43 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.902 0.382 . . . . 10.0 110.492 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.03 -28.4 62.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.827 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.39 -46.6 47.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.803 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.432 ' HH ' HD12 ' B' ' 31' ' ' LEU . 81.9 t80 -65.82 -36.06 82.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.137 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -66.44 -42.09 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.163 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -67.71 -43.5 79.91 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.094 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -70.14 -28.57 65.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 10.0 112.091 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.1 -29.79 67.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.466 ' OG ' ' HG3' ' A' ' 69' ' ' LYS . 18.3 m -65.21 -53.19 48.27 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 115.41 -0.813 . . . . 10.0 110.403 178.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . 0.426 ' OE1' ' HB2' ' D' ' 38' ' ' PRO . 0.7 OUTLIER -54.19 -35.21 62.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.731 -1.122 . . . . 10.0 111.707 -178.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -67.81 -41.7 82.68 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.701 HD22 HD12 ' A' ' 76' ' ' ILE . 8.2 t30 -69.92 -27.54 64.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.701 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.88 -34.49 66.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.233 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -54.11 9.47 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.258 0.836 . . . . 10.0 113.258 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -36.79 79.59 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 114.224 1.194 . . . . 10.0 114.224 -177.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.439 ' OD1' ' HB ' ' A' ' 76' ' ' ILE . 27.6 t-20 -74.29 -50.32 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.099 0.778 . . . . 10.0 113.099 -178.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.45 70.64 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -68.01 -40.51 82.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.167 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m -70.67 -30.03 66.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.967 0.413 . . . . 10.0 110.142 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -72.6 -40.96 66.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.741 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 28.6 p -68.2 -41.38 81.44 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 69.5 t -72.44 -29.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.72 0.295 . . . . 10.0 111.281 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -75.66 -48.79 20.61 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.566 ' O ' HG13 ' B' ' 71' ' ' ILE . 49.1 t -69.75 -46.51 74.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 112.021 0.378 . . . . 10.0 112.021 -179.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -59.07 -33.11 70.42 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.209 0.318 . . . . 10.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -67.74 -35.8 79.4 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.981 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -74.52 -27.07 60.38 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.363 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 67' ' ' VAL . 25.4 mt -66.84 -48.54 79.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 121.02 0.438 . . . . 10.0 110.125 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . 0.457 ' O ' HG13 ' B' ' 76' ' ' ILE . 10.9 m-20 -69.94 -28.57 65.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.626 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.23 86.58 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.952 0.406 . . . . 10.0 110.703 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' B' ' 77' ' ' GLN . . . -70.55 -35.71 73.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.126 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.551 ' HA ' ' ND2' ' B' ' 78' ' ' ASN . 62.0 mt -64.35 -32.07 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.11 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 72' ' ' ASP . 54.8 mt -69.27 -38.32 77.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.711 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 74' ' ' ALA . 3.5 pt20 -68.48 -21.81 64.6 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.487 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.551 ' ND2' ' HA ' ' B' ' 75' ' ' ILE . 61.4 m-20 -74.69 -39.45 61.97 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.165 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -71.29 146.92 48.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.24 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.233 -0.889 . . . . 10.0 111.277 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 111.646 0.239 . . . . 10.0 111.646 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.39 100.33 8.4 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.797 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -136.03 131.39 18.84 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.006 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.06 168.61 23.74 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.082 2.521 . . . . 10.0 112.634 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.36 118.71 20.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.578 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -130.03 136.6 49.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.234 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.62 164.3 33.88 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.598 -0.81 . . . . 10.0 112.978 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -67.24 -33.97 76.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.809 0.338 . . . . 10.0 111.313 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -29.7 69.65 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.501 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -72.09 -32.23 66.82 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.871 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.41 -36.84 74.28 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.476 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 t -68.72 -39.7 80.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.885 0.374 . . . . 10.0 110.942 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' SER . . . . . 0.548 ' HB3' HE21 ' C' ' 61' ' ' GLN . 63.0 m -66.39 -39.75 89.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.589 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -22.85 58.31 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.391 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -47.4 79.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.783 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . 0.416 ' O ' HG23 ' C' ' 20' ' ' VAL . 26.6 m-85 -72.31 -30.32 64.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.363 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -65.12 -38.47 90.76 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.634 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -63.34 -36.75 84.75 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.72 0.295 . . . . 10.0 111.388 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.5 -25.59 73.83 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.911 -0.661 . . . . 10.0 112.491 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 32.0 m -116.55 31.99 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.715 0.293 . . . . 10.0 111.305 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.81 -56.08 25.48 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -84.49 1.54 45.17 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.316 0.579 . . . . 10.0 110.558 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' C' ' 20' ' ' VAL . 1.2 tm? -71.76 -40.24 69.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.189 -0.914 . . . . 10.0 111.427 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -56.45 -44.9 80.94 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -72.8 -26.61 61.57 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.561 -0.291 . . . . 10.0 111.069 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.73 -32.58 69.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.898 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.83 -42.97 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.48 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 36.7 p -71.43 -29.23 64.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.772 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.43 -40.86 57.13 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.774 0.321 . . . . 10.0 110.566 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.35 69.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.476 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . 0.488 HD12 ' HH ' ' C' ' 47' ' ' TYR . 50.4 tp -72.99 -36.76 67.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.446 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.19 -36.5 81.88 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.436 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 64.0 mttp -70.96 -50.23 36.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.52 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -68.08 -25.52 65.37 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.01 -34.43 59.85 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.45 24.27 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 0.2 OUTLIER -105.04 117.5 58.46 Favored Pre-proline 0 N--CA 1.463 0.208 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . 0.538 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 96.9 Cg_exo -47.83 -72.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.322 3.348 . . . . 10.0 113.495 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 51.5 p -146.18 124.3 12.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.25 0.548 . . . . 10.0 111.661 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . 0.68 ' HB3' ' HB2' ' C' ' 43' ' ' LEU . 0.4 OUTLIER -137.85 103.7 8.29 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.44 179.121 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.92 -35.99 74.61 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.447 2.098 . . . . 10.0 112.133 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -40.77 57.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.4 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.68 ' HB2' ' HB3' ' C' ' 40' ' ' ASP . 4.2 mm? -72.7 -25.33 61.19 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.546 0.573 . . . . 10.0 112.546 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 45.0 tp -71.98 -40.88 68.27 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.804 0.335 . . . . 10.0 110.803 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.91 -30.67 62.71 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.496 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.74 63.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.156 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' TYR . . . . . 0.488 ' HH ' HD12 ' C' ' 31' ' ' LEU . 73.0 t80 -69.05 -36.79 78.06 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -69.17 -42.3 76.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.409 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 44.9 t -72.06 -38.81 69.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.445 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -71.05 -28.41 64.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.999 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.5 tp -74.71 -29.91 61.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.896 0.379 . . . . 10.0 110.125 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 54.4 m -74.39 -29.65 61.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.142 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.45 -36.64 79.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.534 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -68.76 -29.4 67.78 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -66.47 -49.13 67.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.015 -0.993 . . . . 10.0 111.714 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.95 -28.29 65.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.762 0.652 . . . . 10.0 112.762 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -49.93 68.15 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.888 0.375 . . . . 10.0 110.999 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' ARG . . . . . 0.508 HH12 ' HB3' ' C' ' 62' ' ' SER . 0.0 OUTLIER -78.84 -26.92 44.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.934 -0.576 . . . . 10.0 112.018 -178.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ASN . . . . . 0.432 HD21 ' HA ' ' C' ' 59' ' ' ASN . 0.2 OUTLIER -73.53 -42.58 61.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.313 . . . . 10.0 111.835 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -30.23 61.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.692 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' GLN . . . . . 0.548 HE21 ' HB3' ' C' ' 13' ' ' SER . 55.8 tt0 -68.85 -39.82 79.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.072 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' SER . . . . . 0.508 ' HB3' HH12 ' C' ' 58' ' ' ARG . 34.4 p -71.93 -30.43 65.32 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.577 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -72.15 -40.13 68.26 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.883 0.373 . . . . 10.0 110.611 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' THR . . . . . 0.427 ' O ' ' HB3' ' C' ' 68' ' ' PHE . 20.4 p -69.94 -40.66 75.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.84 -44.83 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -78.52 -48.15 15.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.701 1.0 . . . . 10.0 113.701 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.79 -40.87 81.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 113.392 0.886 . . . . 10.0 113.392 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' C' ' 64' ' ' THR . 50.3 t80 -65.51 -42.39 92.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.646 0.26 . . . . 10.0 111.165 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.641 ' NZ ' HD22 ' D' ' 56' ' ' LEU . 7.5 mtpm? -67.29 -32.7 73.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.39 . . . . 10.0 112.044 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.21 -29.64 70.94 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.72 -43.95 89.78 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.584 178.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -68.0 -25.02 65.19 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.221 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.19 -33.93 74.11 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.555 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.76 -29.36 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.672 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 74.6 mt -69.74 -44.93 78.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.355 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.6 pp -69.34 -24.6 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 120.979 0.419 . . . . 10.0 110.351 179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -69.01 -30.56 68.98 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.64 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -73.79 -30.31 62.68 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.257 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -69.13 145.8 53.04 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.981 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.166 -0.921 . . . . 10.0 111.496 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tmt? . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.689 0.281 . . . . 10.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.68 100.94 11.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 16.4 p -127.57 131.59 23.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.73 149.42 60.7 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.64 2.227 . . . . 10.0 111.963 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -78.3 121.75 24.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.17 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -133.57 147.85 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.621 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.66 165.84 37.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.625 -0.797 . . . . 10.0 112.783 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -67.03 -38.64 86.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.699 0.285 . . . . 10.0 111.411 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.492 ' H ' HD22 ' D' ' 9' ' ' LEU . 1.0 OUTLIER -67.44 -28.02 67.53 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.767 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.33 -33.93 67.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.764 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.97 -36.51 75.27 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.301 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.66 -39.25 80.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 120.903 0.382 . . . . 10.0 110.616 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' SER . . . . . 0.55 ' HB3' HE21 ' D' ' 61' ' ' GLN . 62.2 m -66.68 -38.74 87.41 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.601 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.9 -22.99 58.31 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.256 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -64.33 -47.67 78.52 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.674 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -74.17 -31.96 62.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.633 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.35 -40.51 93.69 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.153 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -68.88 -34.4 75.38 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.799 0.333 . . . . 10.0 111.225 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.15 90.65 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.683 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.21 33.66 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.003 0.43 . . . . 10.0 111.038 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.7 -46.97 86.12 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.539 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -82.56 -3.54 56.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 10.0 111.839 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -72.19 -33.5 67.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.872 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -58.3 -48.03 81.78 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.21 0.319 . . . . 10.0 111.757 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -72.76 -26.69 61.64 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.35 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -71.15 -33.13 69.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.945 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 72.6 t -68.7 -43.87 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.615 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 26.1 p -70.15 -30.04 67.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.698 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -76.65 -41.88 44.08 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.571 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.98 -28.8 65.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.899 0.38 . . . . 10.0 110.768 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . 0.448 HD12 ' HH ' ' D' ' 47' ' ' TYR . 37.9 tp -72.94 -37.24 67.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.51 179.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.46 -37.19 74.25 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.591 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' D' ' 37' ' ' LYS . 62.6 mttp -70.92 -35.18 72.16 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.552 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -25.0 62.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.444 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.25 65.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.924 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.0 8.96 12.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 10.0 111.848 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' D' ' 33' ' ' LYS . 1.2 mptm? -118.03 101.24 51.84 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.685 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' PRO . . . . . 0.426 ' HB2' ' OE1' ' B' ' 53' ' ' GLU . 22.1 Cg_exo -65.96 -73.01 0.02 OUTLIER 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.994 2.463 . . . . 10.0 113.442 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 5.4 p -110.78 118.87 37.32 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.556 -0.458 . . . . 10.0 111.62 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . 0.535 ' HB3' ' HB2' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -144.63 134.19 11.51 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 113.647 0.98 . . . . 10.0 113.647 179.652 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.676 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 40.5 Cg_endo -69.88 -48.45 0.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.496 2.131 . . . . 10.0 111.865 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.02 25.14 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.186 -0.915 . . . . 10.0 112.871 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.535 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 1.8 mm? -65.4 -30.56 71.38 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 112.124 0.416 . . . . 10.0 112.124 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . 0.442 HD12 ' H ' ' D' ' 40' ' ' ASP . 5.3 mp -80.55 -29.96 37.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 10.0 110.665 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.11 82.64 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.925 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' D' ' 50' ' ' LYS . . . -63.13 -39.12 93.74 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.073 -0.967 . . . . 10.0 111.421 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' TYR . . . . . 0.448 ' HH ' HD12 ' D' ' 31' ' ' LEU . 7.7 t80 -71.28 -33.9 70.18 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -68.99 -49.12 60.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.759 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 14.8 t -74.46 -49.75 21.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.523 0.934 . . . . 10.0 113.523 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' D' ' 46' ' ' ALA . 12.6 mptt -64.76 -37.0 86.12 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.183 1.179 . . . . 10.0 114.183 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.77 -44.51 73.51 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.769 0.319 . . . . 10.0 111.055 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 99.6 p -72.61 -29.21 63.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.237 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.13 -36.93 85.64 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -65.03 -34.68 79.02 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.912 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 55' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' D' ' 59' ' ' ASN . 19.4 t30 -61.55 -45.03 95.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.585 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 56' ' ' LEU . . . . . 0.641 HD22 ' NZ ' ' C' ' 69' ' ' LYS . 2.5 mm? -73.58 -27.29 61.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.53 -46.83 81.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.703 0.287 . . . . 10.0 110.948 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -32.5 33.56 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.484 0.549 . . . . 10.0 112.484 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 59' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' D' ' 55' ' ' ASN . 0.1 OUTLIER -70.11 -44.74 68.36 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.35 -30.06 63.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.137 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 61' ' ' GLN . . . . . 0.55 HE21 ' HB3' ' D' ' 13' ' ' SER . 57.3 tt0 -68.2 -45.63 72.85 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.486 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 84.8 p -70.86 -24.42 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.823 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.84 -40.87 63.0 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.303 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 22.7 p -67.54 -37.8 83.24 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -69.99 -29.94 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 120.827 0.346 . . . . 10.0 110.682 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -74.55 -45.43 45.56 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.612 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.8 -48.76 62.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 112.178 0.436 . . . . 10.0 112.178 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -60.59 -39.9 89.79 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -65.52 -35.86 82.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.594 -0.276 . . . . 10.0 111.647 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -69.32 -28.74 66.51 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.562 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 72.1 mt -67.85 -43.46 86.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 72' ' ' ASP . . . . . 0.46 ' O ' HG13 ' D' ' 76' ' ' ILE . 41.8 m-20 -66.29 -28.98 69.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.396 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.54 89.82 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.009 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.83 -31.22 70.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.676 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.09 -31.7 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.597 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 76' ' ' ILE . . . . . 0.46 HG13 ' O ' ' D' ' 72' ' ' ASP . 50.1 mt -68.47 -33.45 60.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.268 -0.423 . . . . 10.0 109.943 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -63.42 -36.95 85.42 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.253 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -68.5 -31.07 70.07 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.663 -0.699 . . . . 10.0 111.467 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -77.19 148.29 35.97 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.307 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.179 -0.915 . . . . 10.0 111.467 179.86 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.734 ' CH2' ' HG2' ' D' ' 38' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 121.039 0.447 . . . . 10.0 111.163 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -94.59 110.01 21.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.729 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.34 136.48 5.33 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.679 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.417 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -66.63 -45.97 77.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.618 0.247 . . . . 10.0 111.303 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.714 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.1 pt? -67.15 -37.35 83.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.038 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -72.01 -29.37 64.13 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.888 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.92 -37.8 79.14 Favored 'General case' 0 C--O 1.227 -0.091 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.611 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG11 HG21 ' A' ' 64' ' ' THR . 60.0 t -68.11 -37.08 77.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.394 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.2 m -68.59 -43.7 75.93 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.56 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -22.97 61.05 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.016 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -63.63 -45.8 88.6 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.309 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 20' ' ' VAL . 17.2 m-85 -71.74 -28.87 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -64.93 -40.16 94.61 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -68.67 -27.52 66.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.085 0.469 . . . . 10.0 110.291 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.83 -48.53 10.0 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.744 -0.662 . . . . 10.0 112.995 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 16' ' ' PHE . 18.4 m -101.81 31.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.87 -56.35 22.84 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.417 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -87.0 -5.67 59.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.916 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.2 tm? -70.83 -33.32 70.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.37 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -61.58 -40.83 96.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.549 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.3 p -72.57 -26.62 61.79 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.022 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -73.02 -29.57 63.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.315 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 23' ' ' LEU . 57.7 t -71.5 -43.23 72.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.621 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 p -71.18 -31.78 68.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.643 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -39.39 76.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.956 0.408 . . . . 10.0 110.471 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.33 -24.32 50.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.386 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.9 tp -72.6 -43.23 63.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.921 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.55 -31.45 68.5 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.679 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -32.43 68.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.411 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -77.96 -31.64 50.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.001 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.78 -25.62 62.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 10.0 112.123 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.22 6.08 49.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 10.0 111.577 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 4.0 mmmp? -127.15 133.56 25.18 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.113 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 31.7 Cg_exo -60.89 -66.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.8 2.333 . . . . 10.0 111.988 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.1 p -152.01 123.85 7.99 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.032 0.444 . . . . 10.0 111.307 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 1.3 p30 -137.95 124.33 13.1 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.458 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.02 -29.3 66.19 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.758 2.305 . . . . 10.0 112.948 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.85 -50.89 18.22 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 3.9 mm? -72.39 -24.1 61.2 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -69.96 -43.31 71.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 10.0 110.173 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.76 -32.51 63.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.87 68.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.937 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 16.4 t80 -70.27 -33.29 71.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.14 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -62.86 -43.3 99.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.354 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.3 t -72.71 -38.76 67.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 70.5 mmtt -72.64 -24.73 61.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 10.0 112.006 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -74.14 -37.11 64.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.833 0.349 . . . . 10.0 110.553 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.2 p -72.19 -29.27 63.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.664 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 50.8 mt-10 -67.7 -36.93 81.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.935 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -71.46 -35.4 70.86 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.557 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.69 -35.41 80.7 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.274 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.65 -32.08 67.53 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.487 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.96 -47.02 66.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.747 0.308 . . . . 10.0 110.932 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -71.0 -33.42 70.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 10.0 112.066 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -77.75 -39.69 43.43 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.93 -34.17 77.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.619 0.247 . . . . 10.0 111.17 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -71.87 -43.04 66.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.7 p -71.54 -25.6 62.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.305 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -74.44 -43.06 57.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.352 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.439 HG21 HG11 ' A' ' 12' ' ' VAL . 3.7 p -69.17 -37.79 78.36 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.55 -20.62 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 120.724 0.297 . . . . 10.0 111.327 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -83.64 -48.89 9.71 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.569 0.581 . . . . 10.0 112.569 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 63' ' ' ASN . 17.3 t -70.13 -35.98 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.995 0.426 . . . . 10.0 111.458 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.687 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 9.9 t80 -70.5 -44.73 67.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 10.0 112.206 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -66.12 -35.67 81.11 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -52.83 63.63 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.99 0.424 . . . . 10.0 111.388 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.544 HD11 ' CB ' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -68.19 -34.82 68.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.94 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.508 ' HA ' HG13 ' A' ' 75' ' ' ILE . 9.9 t70 -72.06 -23.05 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 10.0 111.231 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.51 -33.43 66.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.035 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.25 96.18 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.272 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' D' ' 45' ' ' ALA . 0.6 OUTLIER -62.67 -50.47 79.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.275 -0.875 . . . . 10.0 110.589 179.603 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.01 -35.33 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 114.746 -1.115 . . . . 10.0 112.303 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -72.15 -25.03 61.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.292 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -66.45 -32.67 74.19 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.816 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.983 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 78.5 m-85 -68.6 91.39 0.42 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.307 -0.86 . . . . 10.0 109.361 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.401 ' O ' HG22 ' B' ' 67' ' ' VAL . 38.7 ttp180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.07 -0.966 . . . . 10.0 111.243 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 111.603 -0.599 . . . . 10.0 111.603 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.425 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.2 OUTLIER -66.61 -45.53 78.85 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.54 ' H ' HD23 ' B' ' 9' ' ' LEU . 0.4 OUTLIER -68.62 -36.61 78.87 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.432 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.42 -31.31 65.38 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.772 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.53 -37.93 86.06 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.601 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 8' ' ' TYR . 61.3 t -67.16 -36.55 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.685 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.0 m -67.78 -47.61 68.66 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.931 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.25 62.6 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.047 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -63.22 -46.9 84.81 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.269 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.596 ' O ' HG22 ' B' ' 20' ' ' VAL . 20.7 m-85 -71.15 -29.13 64.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.589 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -64.71 -42.08 95.53 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 113.164 0.802 . . . . 10.0 113.164 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -63.45 -29.17 70.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.032 0.444 . . . . 10.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.17 -47.96 10.31 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.532 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.596 HG22 ' O ' ' B' ' 16' ' ' PHE . 22.4 m -101.63 31.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.835 0.35 . . . . 10.0 111.747 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.9 -47.25 87.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.524 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -93.42 -4.5 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.582 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 27' ' ' VAL . 34.2 tp -71.7 -29.86 65.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.621 0.248 . . . . 10.0 111.189 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.93 -41.27 95.88 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.036 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 50.2 p -73.57 -26.72 60.96 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.827 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -73.55 -31.39 63.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.357 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 23' ' ' LEU . 92.4 t -72.61 -40.47 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.762 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 20.2 p -71.79 -30.44 65.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.097 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -38.03 71.81 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.089 0.471 . . . . 10.0 110.111 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.23 -24.41 51.21 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.988 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 65.0 tp -72.9 -42.33 63.68 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.764 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.5 -31.6 68.76 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.411 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -31.13 66.51 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.309 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -76.35 -34.72 58.96 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.752 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.27 -21.23 58.68 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.684 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.97 15.0 25.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.814 0.34 . . . . 10.0 111.059 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 11.0 tptm -137.68 135.58 19.21 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.868 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 35.2 Cg_exo -62.05 -60.52 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.855 2.37 . . . . 10.0 112.016 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.2 p -157.03 125.23 5.59 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.98 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.454 ' CG ' ' HB2' ' B' ' 43' ' ' LEU . 2.7 p30 -137.2 117.84 10.73 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 10.0 112.058 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.23 -28.8 64.24 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.647 2.231 . . . . 10.0 112.557 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.17 -50.52 22.12 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.454 ' HB2' ' CG ' ' B' ' 40' ' ' ASP . 3.8 mm? -72.54 -21.09 61.22 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 40' ' ' ASP . 0.2 OUTLIER -71.18 -42.01 69.61 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 179.124 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.68 -31.14 63.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.726 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.71 -51.16 24.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.869 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -64.45 -33.07 75.02 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.408 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -63.06 -46.05 89.33 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.064 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 38.8 t -70.57 -38.73 74.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.991 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.468 ' HD3' ' OE1' ' B' ' 53' ' ' GLU . 65.2 mmtt -70.61 -27.43 64.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.005 -0.543 . . . . 10.0 112.012 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 51' ' ' LEU . 7.7 mt -74.23 -29.99 61.96 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -70.74 -30.65 67.23 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.935 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.468 ' OE1' ' HD3' ' B' ' 50' ' ' LYS . 31.9 mt-10 -73.87 -36.25 64.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.849 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -69.43 -33.08 72.43 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.535 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 61.2 t30 -70.22 -25.62 63.48 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.798 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -69.88 -42.19 73.78 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.048 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.84 -49.77 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.379 -0.828 . . . . 10.0 112.162 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -30.83 67.69 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.241 0.83 . . . . 10.0 113.241 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 0.1 OUTLIER -78.57 -61.04 2.14 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 113.855 1.057 . . . . 10.0 113.855 -178.856 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.1 60.8 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 117.649 0.204 . . . . 10.0 111.277 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -66.26 -48.24 71.09 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.482 0.182 . . . . 10.0 111.196 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.421 ' HA ' HG12 ' B' ' 65' ' ' VAL . 91.8 p -70.93 -26.38 63.17 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.057 0.456 . . . . 10.0 111.09 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.983 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 88.8 m-20 -71.52 -47.24 56.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.169 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -67.82 -40.94 83.74 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.106 0.41 . . . . 10.0 112.106 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' B' ' 62' ' ' SER . 9.9 p -68.08 -22.19 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 120.768 0.318 . . . . 10.0 111.673 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -79.26 -47.89 15.12 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.138 0.421 . . . . 10.0 112.138 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 63' ' ' ASN . 0.4 OUTLIER -72.61 -31.22 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.226 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -72.15 -39.18 68.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -69.08 -34.95 75.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.848 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -52.21 64.76 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.84 -29.65 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 120.78 0.324 . . . . 10.0 111.716 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -72.1 -30.92 65.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.529 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.33 -31.1 69.33 Favored 'General case' 0 N--CA 1.458 -0.063 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.334 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.74 81.8 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.652 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.7 mt -67.58 -45.17 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.771 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.63 -37.34 77.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.173 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -69.52 -24.02 63.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.923 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -72.58 -33.8 67.0 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.998 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.526 179.047 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.911 0.386 . . . . 10.0 110.66 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -94.73 109.43 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.537 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.35 141.53 8.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.039 -0.601 . . . . 10.0 112.079 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' TYR . . . . . 0.408 ' O ' HG23 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -66.84 -46.16 75.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.744 0.307 . . . . 10.0 111.588 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.656 ' H ' HD23 ' C' ' 9' ' ' LEU . 0.6 OUTLIER -69.63 -35.09 74.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.623 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.33 -31.57 65.77 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.78 -38.02 82.84 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.225 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.568 HG11 HG21 ' C' ' 64' ' ' THR . 50.6 t -67.21 -39.16 82.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.871 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -67.59 -45.74 74.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.091 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.89 -23.48 62.3 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.399 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.32 -35.96 76.47 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.332 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.521 ' O ' HG22 ' C' ' 20' ' ' VAL . 20.8 m-85 -75.26 -29.0 60.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.465 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -64.98 -38.98 92.76 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.106 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -66.43 -31.54 72.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.951 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.85 -43.22 23.31 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.856 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.521 HG22 ' O ' ' C' ' 16' ' ' PHE . 28.1 m -101.53 31.3 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 111.949 0.352 . . . . 10.0 111.949 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -60.9 -56.43 21.22 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.507 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -89.56 -5.19 57.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.051 0.453 . . . . 10.0 111.008 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.492 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.2 tm? -70.67 -33.91 71.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.251 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -61.77 -41.58 97.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.461 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 38.8 p -71.75 -26.33 62.41 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.083 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -72.98 -29.14 62.83 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.264 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.492 HG23 ' O ' ' C' ' 23' ' ' LEU . 58.6 t -71.2 -44.13 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.451 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 19.3 p -70.88 -31.71 68.46 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.606 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -40.37 76.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.915 0.388 . . . . 10.0 110.637 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.11 -24.47 51.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.197 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.09 -44.29 65.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.756 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 -30.94 67.78 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.84 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -40.32 86.49 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.864 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -77.13 -31.67 55.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.84 -34.17 72.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 10.0 112.242 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.48 23.65 13.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.682 0.623 . . . . 10.0 112.682 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -130.65 119.78 18.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.38 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.417 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 84.8 Cg_exo -49.09 -68.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.413 2.742 . . . . 10.0 113.226 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 20.6 p -151.9 124.35 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.145 0.498 . . . . 10.0 112.083 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.424 ' CG ' ' HB2' ' C' ' 43' ' ' LEU . 1.0 OUTLIER -138.44 117.83 9.66 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.173 179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.35 -28.47 63.2 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.683 2.255 . . . . 10.0 112.498 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.12 -48.86 21.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.357 0.503 . . . . 10.0 112.357 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' C' ' 43' ' ' LEU . 3.7 mm? -72.65 -21.72 61.05 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' C' ' 40' ' ' ASP . 0.2 OUTLIER -70.72 -42.57 70.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.164 179.249 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.68 -30.18 62.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.879 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.42 -45.41 62.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.051 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -70.9 -33.16 70.27 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.214 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -61.33 -46.59 89.62 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.146 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 34.1 t -69.98 -38.95 76.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -72.48 -26.21 61.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 10.0 112.265 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -42.91 74.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.769 0.319 . . . . 10.0 111.012 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -74.23 -28.63 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.551 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.68 -36.5 78.9 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -74.92 -36.23 62.17 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.331 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -63.24 -43.41 98.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.146 -0.934 . . . . 10.0 111.072 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.81 -33.89 74.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.427 0.528 . . . . 10.0 112.427 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -47.65 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 10.0 111.284 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' D' ' 42' ' ' ALA . 0.5 OUTLIER -69.17 -37.07 77.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.938 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 59' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' C' ' 63' ' ' ASN . 50.5 t30 -72.46 -25.2 61.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.513 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.29 -30.75 62.23 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.719 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -72.72 -44.71 61.34 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.993 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 37.2 p -70.78 -23.65 62.44 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' C' ' 59' ' ' ASN . 0.5 OUTLIER -75.95 -50.83 13.85 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.628 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 64' ' ' THR . . . . . 0.568 HG21 HG11 ' C' ' 12' ' ' VAL . 18.3 p -64.4 -37.83 88.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.908 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 7.5 p -74.32 -20.88 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.604 -0.271 . . . . 10.0 110.879 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -82.4 -48.49 11.07 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.2 0.445 . . . . 10.0 112.2 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' VAL . . . . . 0.418 HG22 ' O ' ' C' ' 63' ' ' ASN . 18.0 m -71.93 -35.74 55.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -74.01 -34.66 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.226 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.95 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 0.1 OUTLIER -72.63 -35.88 67.91 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.598 0.592 . . . . 10.0 112.598 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -48.96 76.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.69 0.281 . . . . 10.0 111.351 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 15.2 tt -69.11 -36.74 74.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.765 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' ASP . . . . . 0.419 ' HB3' ' HE2' ' C' ' 69' ' ' LYS . 24.5 t70 -71.12 -27.47 63.61 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.338 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.78 79.81 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.51 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.46 73.65 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.895 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 71.1 mt -71.34 -46.38 65.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.569 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.99 -30.12 48.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -76.26 -21.92 55.74 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.093 0.473 . . . . 10.0 109.927 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.246 178.026 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.844 0.354 . . . . 10.0 110.574 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.87 62.48 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.331 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -66.78 -39.7 87.91 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.571 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.501 ' O ' HG22 ' D' ' 20' ' ' VAL . 23.7 m-85 -75.97 -31.9 59.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.764 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.14 -39.51 94.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.747 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.3 m -74.77 -30.79 61.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.27 -52.15 18.95 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.905 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' D' ' 16' ' ' PHE . 29.0 m -99.47 32.28 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.822 0.344 . . . . 10.0 111.888 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.31 -53.73 54.88 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.632 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -85.24 -8.96 58.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.466 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.501 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 2.3 tt -71.39 -30.27 65.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.975 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -62.1 -41.08 97.84 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.051 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 61.2 p -73.58 -26.64 60.91 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.933 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -73.83 -30.4 62.67 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.28 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.41 HG23 ' O ' ' D' ' 23' ' ' LEU . 77.4 t -72.34 -41.97 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.777 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -72.09 -28.27 63.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.545 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -39.54 66.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.952 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.14 -25.99 52.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.464 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.401 HD13 ' CZ ' ' D' ' 47' ' ' TYR . 31.8 tp -71.61 -41.95 68.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.774 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.13 -31.01 67.2 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.433 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' D' ' 33' ' ' LYS . 3.0 tppt? -69.48 -38.53 77.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.368 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.75 -25.5 61.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.96 -0.563 . . . . 10.0 111.384 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.06 -48.02 71.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.42 20.86 8.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.748 1.018 . . . . 10.0 113.748 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' LYS . . . . . 0.414 ' HB3' ' OD1' ' D' ' 40' ' ' ASP . 2.0 mmmp? -138.82 100.51 8.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 178.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.734 ' HG2' ' CH2' ' A' ' 5' ' ' TRP . 73.5 Cg_exo -52.58 -76.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.08 2.52 . . . . 10.0 113.767 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 39' ' ' SER . . . . . 0.471 ' HB2' HD22 ' A' ' 9' ' ' LEU . 2.5 m -103.67 124.45 48.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.748 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.1 OUTLIER -136.57 119.89 12.13 Favored Pre-proline 0 N--CA 1.448 -0.549 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.103 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.687 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 34.5 Cg_endo -66.88 -44.04 6.06 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.201 1.934 . . . . 10.0 110.424 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.595 ' HA ' ' NH1' ' C' ' 58' ' ' ARG . . . -77.75 -56.82 4.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.698 -1.137 . . . . 10.0 113.876 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.4 -39.91 95.79 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.915 1.08 . . . . 10.0 113.915 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.748 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -69.78 -38.39 76.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 45' ' ' ALA . . . . . 0.615 ' HB2' HD12 ' A' ' 75' ' ' ILE . . . -73.69 -36.38 65.27 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.801 0.334 . . . . 10.0 111.216 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.56 82.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.895 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 47' ' ' TYR . . . . . 0.401 ' CZ ' HD13 ' D' ' 31' ' ' LEU . 30.2 t80 -69.91 -32.14 70.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.147 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -57.8 -47.48 82.45 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.829 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -74.54 -38.62 62.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 10.0 112.114 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 50' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 70.3 mmtt -71.87 -29.01 63.92 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tt -74.62 -37.17 62.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.535 0.207 . . . . 10.0 110.53 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 95.2 p -70.07 -28.04 65.11 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.97 -36.97 80.95 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -72.03 -31.38 66.12 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.526 -0.916 . . . . 10.0 108.526 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.85 -39.18 90.95 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.49 -1.232 . . . . 10.0 110.542 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' D' ' 56' ' ' LEU . 0.8 OUTLIER -75.2 -29.58 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.272 0.841 . . . . 10.0 113.272 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -63.2 -41.69 99.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.12 0.486 . . . . 10.0 110.328 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 58' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' D' ' 58' ' ' ARG . 0.7 OUTLIER -80.23 -33.9 37.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.391 -179.184 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -76.49 -48.14 20.53 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.31 -36.73 83.07 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.614 0.227 . . . . 10.0 111.614 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.32 -41.84 84.63 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.748 0.308 . . . . 10.0 110.684 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 99.2 p -71.51 -24.7 62.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.769 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.45 -39.93 51.96 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.507 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -68.53 -37.96 80.44 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.76 -28.05 26.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.06 0.457 . . . . 10.0 110.197 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.452 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.474 ' HH2' ' HZ2' ' B' ' 50' ' ' LYS . 80.7 t90 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.813 0.339 . . . . 10.0 110.168 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -147.44 138.45 23.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.29 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.27 169.3 22.26 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.077 -0.809 . . . . 10.0 111.077 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -66.91 -32.35 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.007 0.403 . . . . 10.0 111.592 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -74.76 -33.33 62.28 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.971 179.028 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.413 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 20.6 m-20 -72.49 -28.6 63.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.26 -39.93 71.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.473 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.618 HG11 HG21 ' A' ' 64' ' ' THR . 73.3 t -69.32 -35.43 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.501 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 m -66.83 -47.76 71.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.034 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -22.99 63.9 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.462 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -64.77 -48.53 74.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.129 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' ' 20' ' ' VAL . 36.8 m-85 -77.44 -27.97 52.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.656 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -63.5 -50.65 68.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 m -71.95 -23.3 61.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.128 0.489 . . . . 10.0 109.876 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.73 -49.38 43.35 Favored Glycine 0 C--N 1.335 0.503 0 CA-C-N 115.545 -0.752 . . . . 10.0 113.068 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 16' ' ' PHE . 27.3 m -111.42 32.12 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -59.12 -47.58 84.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.76 0.314 . . . . 10.0 111.693 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -94.18 2.62 55.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.962 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -69.2 -40.97 77.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.249 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -58.81 -36.2 74.1 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.104 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -72.93 -27.94 62.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.682 0.277 . . . . 10.0 110.824 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.59 -27.17 60.36 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.765 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 23' ' ' LEU . 46.2 t -68.74 -46.33 79.75 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.365 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -71.37 -25.37 62.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.919 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.27 -44.23 59.66 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.04 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.06 -25.71 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.262 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.84 -35.93 67.34 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.722 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.12 -39.8 82.65 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.945 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -25.75 62.57 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.2 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -31.42 63.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.199 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.97 -28.57 63.52 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.79 8.1 45.34 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.806 0.298 . . . . 10.0 111.806 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.482 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 7.0 mptt -124.6 135.88 27.16 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.563 -0.289 . . . . 10.0 111.773 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 17.1 Cg_exo -69.23 -68.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.915 2.41 . . . . 10.0 111.903 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -142.18 124.21 15.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.899 0.381 . . . . 10.0 111.232 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -137.91 117.34 9.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.666 179.291 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.66 -33.01 56.74 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.637 2.224 . . . . 10.0 112.856 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.07 -46.97 31.17 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . 3.7 mm? -72.29 -22.2 61.24 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.9 tp -74.15 -38.51 63.7 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.804 0.335 . . . . 10.0 110.149 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -32.8 63.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.655 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.91 -42.01 70.47 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.974 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -72.3 -33.65 67.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.859 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.8 -41.65 91.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.48 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 48.9 m -75.3 -45.6 38.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.72 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.18 -33.11 75.23 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.101 0.778 . . . . 10.0 113.101 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 tp -73.47 -33.3 64.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.026 0.441 . . . . 10.0 110.003 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.3 m -73.84 -33.53 64.15 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.009 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 49' ' ' SER . 42.8 mt-10 -65.37 -37.43 87.01 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.182 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -68.24 -34.12 75.65 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.072 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.7 -44.64 73.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.551 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.6 mm? -70.0 -31.18 68.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -46.33 65.17 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.609 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.53 HH22 ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -67.67 -37.06 81.83 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.359 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 91.9 m-20 -71.49 -26.95 62.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.278 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.21 -32.61 63.1 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.892 0.377 . . . . 10.0 110.579 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -71.74 -47.06 56.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.884 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.53 ' HB3' HH22 ' A' ' 58' ' ' ARG . 26.7 p -71.12 -22.3 62.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.811 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.594 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 1.6 t-20 -76.44 -45.59 30.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.618 HG21 HG11 ' A' ' 12' ' ' VAL . 30.0 p -66.95 -37.81 84.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.893 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.06 -40.89 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.749 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -68.59 -48.41 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.353 0.871 . . . . 10.0 113.353 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 71' ' ' ILE . 24.4 t -68.22 -46.29 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 111.839 0.311 . . . . 10.0 111.839 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.745 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 84.7 t80 -60.63 -35.02 75.14 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.28 0.363 . . . . 10.0 111.845 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.482 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -69.87 -35.47 74.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.647 179.227 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -69.92 -32.45 70.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.536 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.652 HG13 ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -67.46 -54.87 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 CA-C-O 121.112 0.482 . . . . 10.0 110.133 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -59.76 -29.95 68.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.898 -1.046 . . . . 10.0 113.255 -178.864 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' ' 76' ' ' ILE . . . -78.35 -27.69 47.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.656 0.265 . . . . 10.0 111.443 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.0 -39.91 65.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.551 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.422 HD11 ' NH1' ' C' ' 58' ' ' ARG . 5.1 mt -74.07 -38.28 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.275 0.559 . . . . 10.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 1.094 HD12 HD21 ' D' ' 44' ' ' LEU . 0.1 OUTLIER -63.53 -36.48 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.176 -0.92 . . . . 10.0 111.686 -179.375 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -84.41 -20.58 31.63 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.765 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.41 -17.41 60.19 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.611 ' CZ ' HD23 ' D' ' 51' ' ' LEU . 7.1 t80 -88.3 123.23 32.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.124 -0.943 . . . . 10.0 108.844 177.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.041 -0.98 . . . . 10.0 111.609 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 111.927 -0.469 . . . . 10.0 111.927 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.589 ' O ' HG23 ' B' ' 12' ' ' VAL . 62.4 m-85 -67.0 -36.14 81.51 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.794 0.294 . . . . 10.0 111.794 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -34.74 63.53 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.015 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -71.88 -28.11 63.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.297 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' B' ' 15' ' ' LYS . 38.9 t70 -70.06 -41.45 74.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.943 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.606 HG22 HD11 ' D' ' 31' ' ' LEU . 34.4 t -65.09 -36.2 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.974 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -64.28 -53.59 46.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.137 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 -23.01 64.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.216 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.622 ' HE2' ' HA ' ' D' ' 32' ' ' ASP . 3.2 tptt -62.88 -54.07 44.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.615 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.446 ' O ' HG22 ' B' ' 20' ' ' VAL . 41.7 m-85 -73.61 -27.89 61.52 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.587 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -62.05 -52.84 62.33 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.804 1.039 . . . . 10.0 113.804 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -65.69 -23.14 66.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.222 0.534 . . . . 10.0 110.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.6 -52.77 11.36 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 115.484 -0.78 . . . . 10.0 114.851 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.446 HG22 ' O ' ' B' ' 16' ' ' PHE . 6.8 m -108.86 31.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 111.878 0.325 . . . . 10.0 111.878 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.95 -48.18 82.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.956 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -92.28 -0.21 57.41 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.297 0.48 . . . . 10.0 112.297 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 27' ' ' VAL . 31.3 tp -70.03 -29.67 66.77 Favored 'General case' 0 C--O 1.228 -0.071 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.943 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.61 -35.74 81.69 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.976 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.4 p -72.71 -26.63 61.66 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.261 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.42 -26.91 60.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.753 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 23' ' ' LEU . 29.0 t -69.92 -45.73 75.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.358 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 32.6 p -70.84 -27.96 64.24 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.75 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.57 -43.17 63.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.035 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.13 -26.32 61.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -73.04 -36.29 66.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.822 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.84 -39.46 79.93 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.815 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -27.65 63.61 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.152 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 66.0 tp -74.36 -33.6 63.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.011 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.77 59.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.603 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.67 5.92 43.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.507 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.8 mptt -124.69 139.62 33.69 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.305 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 17.3 Cg_exo -69.27 -56.59 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.854 2.369 . . . . 10.0 111.806 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.97 126.28 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.097 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.18 107.49 9.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.2 -34.85 43.97 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.457 2.104 . . . . 10.0 112.05 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.24 -46.19 35.34 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.991 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.48 -21.06 61.27 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.2 tp -71.85 -40.07 69.27 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.918 0.39 . . . . 10.0 110.147 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.96 -31.78 63.17 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.26 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.8 67.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.813 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -70.48 -33.53 71.34 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.644 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -64.99 -39.14 93.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.42 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 45.9 m -70.57 -47.83 58.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.044 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.474 ' HZ2' ' HH2' ' A' ' 5' ' ' TRP . 57.0 mmtt -66.72 -39.09 87.86 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.89 -44.87 79.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.151 0.5 . . . . 10.0 110.745 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.602 ' O ' HD22 ' B' ' 56' ' ' LEU . 46.4 m -71.5 -30.01 65.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.545 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -63.47 -37.03 85.72 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.981 0.419 . . . . 10.0 110.177 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -67.39 -31.79 72.24 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.169 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.41 -34.88 70.74 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.3 -0.863 . . . . 10.0 110.672 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.602 HD22 ' O ' ' B' ' 52' ' ' SER . 0.0 OUTLIER -70.38 -34.28 72.4 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.897 0.38 . . . . 10.0 110.646 179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -47.75 39.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.006 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 58' ' ' ARG . 0.1 OUTLIER -63.15 -39.49 94.82 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.107 -179.319 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -71.59 -33.59 69.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.58 85.54 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.873 0.368 . . . . 10.0 110.411 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -66.44 -43.73 84.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.766 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 66.8 p -71.79 -29.41 64.44 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.965 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.456 ' O ' HG23 ' B' ' 67' ' ' VAL . 2.5 m-80 -73.7 -41.76 62.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.814 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 41.3 p -69.31 -41.79 76.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 m -72.51 -27.91 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 N-CA-C 112.902 0.704 . . . . 10.0 112.902 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -75.42 -47.57 26.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.674 0.25 . . . . 10.0 111.674 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.674 ' O ' HG13 ' B' ' 71' ' ' ILE . 38.1 t -66.33 -50.64 66.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.736 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' PHE . . . . . 0.804 ' HA ' HD12 ' B' ' 71' ' ' ILE . 52.8 t80 -57.78 -35.56 70.96 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.501 ' HA ' ' HD3' ' B' ' 69' ' ' LYS . 24.1 mmtm -69.07 -35.12 76.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.649 -0.25 . . . . 10.0 111.615 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.48 -29.61 59.63 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.056 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' B' ' 68' ' ' PHE . 57.2 mt -66.64 -52.95 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.126 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.13 -29.18 68.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.213 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.43 70.54 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.72 0.295 . . . . 10.0 110.754 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.18 -33.24 67.52 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.722 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.645 HG12 ' NH1' ' D' ' 58' ' ' ARG . 8.1 mt -70.67 -39.94 76.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.676 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.7 -38.63 76.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.262 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -76.39 -24.27 54.08 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -20.29 37.25 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.368 . . . . 10.0 110.849 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.583 179.251 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 32.4 t90 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.943 0.401 . . . . 10.0 110.666 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -145.98 137.68 24.99 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.656 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.97 177.91 19.87 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.84 -0.695 . . . . 10.0 112.076 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -67.29 -33.12 74.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.712 0.292 . . . . 10.0 111.452 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' C' ' 10' ' ' ASP . 0.6 OUTLIER -74.63 -34.4 62.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.894 179.578 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.449 ' N ' ' HG ' ' C' ' 9' ' ' LEU . 17.6 m-20 -72.16 -30.01 64.59 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.404 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.45 -39.18 71.16 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.81 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.475 HG11 HG21 ' C' ' 64' ' ' THR . 84.9 t -71.3 -37.32 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.95 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 68.5 m -66.18 -48.67 69.94 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.029 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.01 65.57 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.678 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' C' ' 15' ' ' LYS . 8.0 tppt? -66.02 -45.77 80.29 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.567 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.524 ' O ' HG22 ' C' ' 20' ' ' VAL . 36.5 m-85 -77.75 -28.94 50.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.862 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -64.88 -43.14 93.9 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.328 0.492 . . . . 10.0 112.328 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -77.13 -25.1 51.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.352 . . . . 10.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.57 -42.45 55.16 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.042 -0.599 . . . . 10.0 112.961 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.524 HG22 ' O ' ' C' ' 16' ' ' PHE . 34.8 m -110.33 30.55 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.25 -49.49 77.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.322 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' C' ' 26' ' ' GLN . 23.5 m-80 -97.72 4.09 50.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.588 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.471 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.1 tm? -70.29 -39.85 74.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.52 -34.48 75.6 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.827 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 42.6 p -73.08 -27.34 61.66 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.579 -0.282 . . . . 10.0 110.715 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' C' ' 22' ' ' ASN . 31.7 mm-40 -75.85 -25.43 56.2 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.642 178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.471 HG23 ' O ' ' C' ' 23' ' ' LEU . 64.2 t -69.42 -46.68 75.86 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.051 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.396 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 24.7 p -70.68 -25.46 62.99 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.342 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.477 ' O ' ' HD2' ' C' ' 33' ' ' LYS . 4.8 mm-40 -72.63 -44.83 61.4 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.229 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.46 60.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.96 0.41 . . . . 10.0 110.774 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 60.3 tp -72.83 -36.88 67.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.812 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.63 -34.1 73.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.16 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.621 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 0.1 OUTLIER -70.77 -41.65 71.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.312 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' C' ' 34' ' ' LEU . 0.2 OUTLIER -71.41 -26.38 62.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.359 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.5 -35.12 69.81 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.526 0.565 . . . . 10.0 112.526 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.39 24.49 8.66 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.621 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 0.2 OUTLIER -115.13 127.86 26.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.0 178.607 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.21 -74.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.452 2.768 . . . . 10.0 113.897 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 58.4 m -147.92 125.81 11.98 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.476 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.73 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 1.9 m-20 -133.02 110.05 12.92 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.753 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -64.24 -34.54 55.87 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.248 1.966 . . . . 10.0 111.503 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -43.05 52.28 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.752 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.8 mm? -72.38 -24.09 61.21 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 35.3 tp -72.82 -38.73 67.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.853 0.359 . . . . 10.0 110.583 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.85 -32.57 63.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.762 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.78 -36.86 65.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.331 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -72.53 -40.63 66.6 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -68.24 -33.05 73.69 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 68.7 m -76.52 -42.8 41.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.3 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.96 -31.57 69.36 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 51.3 tp -75.21 -34.17 61.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.328 . . . . 10.0 110.606 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 69.6 m -73.38 -31.09 63.71 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.95 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -63.2 -36.22 82.9 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.624 -0.88 . . . . 10.0 108.624 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' C' ' 58' ' ' ARG . 70.9 t80 -67.75 -38.23 83.19 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.547 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.83 -44.2 81.74 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.414 -0.812 . . . . 10.0 111.652 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.3 mm? -73.68 -38.43 64.91 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.2 0.815 . . . . 10.0 113.2 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 57' ' ' TYR . . . . . 0.436 ' HD1' ' HB3' ' C' ' 16' ' ' PHE . 0.0 OUTLIER -65.46 -43.06 91.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.184 0.516 . . . . 10.0 110.376 179.392 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.488 HH11 ' HB3' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -70.61 -45.26 65.59 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.393 -0.821 . . . . 10.0 111.911 -178.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 59' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' C' ' 63' ' ' ASN . 79.3 m-20 -65.06 -23.16 67.1 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.588 0.232 . . . . 10.0 111.193 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.3 58.55 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.285 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.606 ' O ' HG23 ' C' ' 65' ' ' VAL . 18.5 mm-40 -67.59 -50.2 59.43 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.426 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 62' ' ' SER . . . . . 0.434 ' HB3' HH22 ' C' ' 58' ' ' ARG . 11.0 p -67.74 -26.37 66.1 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.214 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 63' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' C' ' 59' ' ' ASN . 1.4 t-20 -72.25 -50.27 28.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.768 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 64' ' ' THR . . . . . 0.475 HG21 HG11 ' C' ' 12' ' ' VAL . 28.8 p -63.33 -37.27 86.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.648 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.69 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 71.9 t -61.52 -62.6 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.873 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -43.9 79.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 114.472 1.286 . . . . 10.0 114.472 -178.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.02 -46.02 97.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.265 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -68.61 -34.61 76.07 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.502 -0.317 . . . . 10.0 111.733 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.69 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 11.3 mmpt? -70.75 -35.47 72.67 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.508 0.194 . . . . 10.0 111.333 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -71.22 -32.66 69.07 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.58 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 98.4 mt -70.44 -46.45 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.143 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -30.46 70.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.327 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.99 -27.8 49.12 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.471 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.13 -40.26 62.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.867 0.365 . . . . 10.0 110.897 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 57.2 mt -74.64 -33.93 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.677 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 3.3 tp -70.0 -32.32 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.031 -0.531 . . . . 10.0 112.248 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -83.54 -21.28 32.75 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.844 0.354 . . . . 10.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--O 1.233 0.199 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.114 178.872 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.608 0.242 . . . . 10.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.59 67.67 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.325 -0.398 . . . . 10.0 112.053 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' D' ' 15' ' ' LYS . 23.2 mmtp -67.94 -42.35 81.1 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.753 0.311 . . . . 10.0 111.162 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.462 ' O ' HG22 ' D' ' 20' ' ' VAL . 29.3 m-85 -78.16 -33.86 50.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.798 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -64.9 -50.55 66.08 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.195 0.442 . . . . 10.0 112.195 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.5 m -77.95 -23.65 48.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.923 0.392 . . . . 10.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.08 -50.57 39.2 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.927 -0.579 . . . . 10.0 113.327 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.462 HG22 ' O ' ' D' ' 16' ' ' PHE . 35.9 m -110.59 33.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.97 0.414 . . . . 10.0 111.494 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.37 -40.15 85.58 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.679 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -91.55 -0.48 57.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.845 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.476 ' O ' HG23 ' D' ' 27' ' ' VAL . 14.7 tp -70.49 -33.75 71.58 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.661 -0.245 . . . . 10.0 110.856 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.7 -36.38 83.46 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.651 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 61.5 p -73.12 -26.82 61.37 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.759 0.314 . . . . 10.0 110.797 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -75.22 -27.87 59.71 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.213 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.476 HG23 ' O ' ' D' ' 23' ' ' LEU . 88.8 t -72.4 -41.95 64.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.611 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.1 p -71.52 -24.89 62.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.565 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.23 -46.72 48.63 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.653 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.06 -30.72 68.05 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.944 0.402 . . . . 10.0 110.932 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.606 HD11 HG22 ' B' ' 12' ' ' VAL . 26.5 tp -68.36 -36.34 79.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ASP . . . . . 0.622 ' HA ' ' HE2' ' B' ' 15' ' ' LYS . 32.1 t70 -70.03 -36.36 74.98 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.651 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -25.53 62.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.468 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' D' ' 34' ' ' LEU . 12.0 mt -66.29 -24.1 66.49 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.696 0.999 . . . . 10.0 113.696 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' B' ' 15' ' ' LYS . . . -50.88 -55.65 16.05 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.71 22.87 12.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.273 0.842 . . . . 10.0 113.273 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' LYS . . . . . 0.508 ' HB3' ' OD2' ' D' ' 40' ' ' ASP . 15.5 mmtp -126.28 100.43 29.56 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 114.927 -1.033 . . . . 10.0 108.599 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -62.06 -74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.479 2.786 . . . . 10.0 113.46 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -120.35 123.88 44.17 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.801 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 6.6 m-20 -138.6 135.63 18.15 Favored Pre-proline 0 C--O 1.22 -0.483 0 N-CA-C 114.03 1.122 . . . . 10.0 114.03 -177.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.745 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 49.3 Cg_endo -71.4 -46.14 0.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.994 2.463 . . . . 10.0 111.313 176.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.24 -53.42 7.34 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-N 115.098 -0.955 . . . . 10.0 113.201 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' D' ' 40' ' ' ASP . 3.4 mm? -59.01 -29.63 67.39 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 1.094 HD21 HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -79.28 -33.97 42.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.923 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 45' ' ' ALA . . . . . 0.431 ' HB2' ' NE ' ' C' ' 58' ' ' ARG . . . -68.66 -45.64 71.22 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.502 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.24 91.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.953 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -71.24 -33.98 70.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.985 0.365 . . . . 10.0 111.985 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -65.89 -45.43 82.04 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 10.0 111.366 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 28.5 m -76.41 -40.6 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 50' ' ' LYS . . . . . 0.476 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 63.5 mmtt -68.37 -32.51 72.65 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.611 HD23 ' CZ ' ' A' ' 79' ' ' PHE . 13.0 tp -73.76 -35.37 64.99 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.981 -0.288 . . . . 10.0 110.622 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 55.0 m -74.3 -29.86 61.82 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.464 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -68.24 -36.95 80.27 Favored 'General case' 0 N--CA 1.46 0.053 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -69.91 -31.37 69.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.987 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -64.77 -55.09 21.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.357 -0.838 . . . . 10.0 112.459 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.28 -27.22 63.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.206 0.817 . . . . 10.0 113.206 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -44.99 95.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 10.0 109.875 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 58' ' ' ARG . . . . . 0.711 HH22 ' HB3' ' D' ' 62' ' ' SER . 0.0 OUTLIER -75.58 -39.33 58.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.796 -179.549 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 59' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' D' ' 63' ' ' ASN . 96.3 m-20 -67.05 -29.5 69.32 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.789 0.292 . . . . 10.0 111.789 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.13 -30.17 55.03 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.544 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -69.44 -48.52 60.63 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.887 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 62' ' ' SER . . . . . 0.711 ' HB3' HH22 ' D' ' 58' ' ' ARG . 39.1 p -71.32 -20.12 62.23 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.728 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 63' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' D' ' 59' ' ' ASN . 14.6 t-20 -76.25 -47.03 25.32 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -64.25 -37.94 89.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.693 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 60.1 t -69.43 -34.2 61.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.475 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 tptp . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.871 -179.709 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.6 t90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.676 0.274 . . . . 10.0 110.795 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -110.33 152.57 26.05 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.93 143.37 8.88 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.703 -0.76 . . . . 10.0 113.737 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 12' ' ' VAL . 15.9 m-85 -67.4 -33.05 74.38 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.869 0.366 . . . . 10.0 110.797 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.743 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -65.23 -38.36 90.13 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.879 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -73.03 -28.58 62.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.907 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.64 -36.64 78.88 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.539 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 8' ' ' TYR . 34.3 t -71.38 -37.13 63.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 120.857 0.36 . . . . 10.0 110.635 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -67.47 -42.3 83.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.497 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.51 -22.88 62.58 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.912 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 15' ' ' LYS . 6.2 tppt? -63.28 -49.32 74.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.569 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.454 ' O ' HG22 ' A' ' 20' ' ' VAL . 26.5 m-85 -67.48 -31.68 71.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.941 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.99 -38.42 90.9 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 m -58.62 -36.9 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 10.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.58 -37.18 35.87 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.087 -0.578 . . . . 10.0 113.172 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 16' ' ' PHE . 32.7 m -98.36 26.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.25 -56.1 25.69 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.861 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -86.29 -8.17 57.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.274 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.537 HD11 ' HD2' ' A' ' 50' ' ' LYS . 56.9 tp -70.94 -39.2 72.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.418 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -66.43 -30.37 70.72 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.904 0.383 . . . . 10.0 110.857 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -72.86 -28.43 62.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.989 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -76.98 -24.5 52.26 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.184 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 23' ' ' LEU . 48.7 t -71.09 -45.51 71.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.112 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -72.84 -29.07 62.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.425 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -37.19 65.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.763 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.04 -24.56 52.03 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.745 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.6 tp -71.23 -44.86 64.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.374 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.97 -32.21 69.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.689 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -70.32 -38.44 74.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.174 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -71.08 -26.26 62.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.208 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.59 -22.68 61.69 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.661 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.1 10.78 25.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.196 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 42.0 mmtm -124.64 123.32 25.71 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.392 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.54 -68.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.929 2.42 . . . . 10.0 111.726 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 m -129.84 123.08 29.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.082 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.766 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -138.27 103.58 7.98 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.402 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 27.1 Cg_endo -63.92 -39.25 33.83 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.366 2.044 . . . . 10.0 112.09 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.56 -42.7 51.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.207 -0.452 . . . . 10.0 112.105 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.766 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 3.3 mm? -70.56 -26.09 63.38 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.239 0.459 . . . . 10.0 112.239 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 tp -77.19 -32.6 56.19 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.681 0.277 . . . . 10.0 110.645 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.06 -37.61 78.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.898 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 50' ' ' LYS . . . -73.44 -38.03 65.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.583 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -66.62 -42.61 86.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.45 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -68.01 -37.88 81.93 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.219 0.452 . . . . 10.0 112.219 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t -73.16 -41.63 63.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.481 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.537 ' HD2' HD11 ' A' ' 23' ' ' LEU . 74.2 mmtt -74.23 -24.89 59.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.379 0.511 . . . . 10.0 112.379 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 tp -73.91 -38.27 64.38 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.889 0.376 . . . . 10.0 110.155 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.3 p -72.6 -29.48 63.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.506 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.23 -36.11 78.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.913 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.1 -34.35 77.86 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.937 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -64.9 -37.96 89.38 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.089 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.9 mm? -70.4 -30.96 67.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.558 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.89 -50.76 46.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.901 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.496 HH12 ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -69.73 -36.94 76.29 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.031 0.382 . . . . 10.0 112.031 -179.192 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.42 -37.75 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.94 76.08 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.688 0.28 . . . . 10.0 111.257 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -69.87 -43.74 71.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.301 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB3' HH12 ' A' ' 58' ' ' ARG . 77.0 p -71.03 -25.26 62.58 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 67' ' ' VAL . 86.8 m-20 -76.71 -41.3 45.76 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 p -70.25 -36.68 74.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.951 0.352 . . . . 10.0 111.951 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.74 -28.63 27.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -74.98 -47.94 26.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.822 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.5 t -64.18 -50.07 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 111.883 0.327 . . . . 10.0 111.883 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 71' ' ' ILE . 5.8 m-85 -55.83 -34.72 65.65 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.429 0.456 . . . . 10.0 112.143 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HE3' ' OG ' ' D' ' 39' ' ' SER . 0.1 OUTLIER -68.86 -40.64 79.19 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.578 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -66.49 -35.2 79.67 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.546 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.662 HG22 HD11 ' A' ' 75' ' ' ILE . 36.7 mt -60.5 -55.22 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.27 -33.63 73.87 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.18 -0.918 . . . . 10.0 112.789 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.45 74.87 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.9 -46.76 33.77 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.67 HG22 HD23 ' D' ' 44' ' ' LEU . 26.3 mt -59.98 -50.98 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.594 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.59 ' CD1' HD21 ' D' ' 44' ' ' LEU . 4.4 mm -57.14 -38.54 61.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -58.12 -32.13 67.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.995 -0.548 . . . . 10.0 112.128 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -91.19 -25.24 19.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.505 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.552 ' O ' ' HB3' ' B' ' 63' ' ' ASN . 0.0 OUTLIER -73.86 154.96 39.24 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.59 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.997 ' HD3' HD13 ' D' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 C-N-CA 120.347 -0.541 . . . . 10.0 109.656 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.639 -0.184 . . . . 10.0 112.639 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -66.91 -36.49 82.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.708 0.29 . . . . 10.0 111.706 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -36.4 78.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.203 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.82 -27.52 62.97 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.883 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.73 -40.09 76.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.549 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.84 HG11 HG21 ' B' ' 64' ' ' THR . 7.4 t -67.14 -35.58 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.991 0.424 . . . . 10.0 110.871 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -69.78 -32.34 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.169 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -37.05 71.9 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.613 -0.721 . . . . 10.0 112.5 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -68.48 -34.84 76.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.416 0.524 . . . . 10.0 112.416 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.456 ' O ' HG22 ' B' ' 20' ' ' VAL . 12.9 m-85 -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.45 -39.04 88.63 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.17 -0.923 . . . . 10.0 113.264 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 15.7 m -54.71 -35.76 64.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.921 0.391 . . . . 10.0 111.303 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.58 -45.98 12.6 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.975 -0.631 . . . . 10.0 113.521 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.456 HG22 ' O ' ' B' ' 16' ' ' PHE . 35.7 m -94.6 29.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.94 0.4 . . . . 10.0 111.247 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.43 -54.44 43.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.939 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -84.78 -9.87 57.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.086 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 27' ' ' VAL . 37.2 tp -71.03 -34.7 71.54 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.204 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.04 -33.0 73.76 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.969 0.414 . . . . 10.0 110.795 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -72.67 -27.11 61.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.074 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -77.11 -25.95 52.73 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.217 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 23' ' ' LEU . 61.7 t -71.85 -43.69 68.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.881 0.372 . . . . 10.0 110.083 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 23.8 p -73.37 -27.71 61.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.058 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.94 -36.05 62.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.108 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.42 51.63 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.974 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.5 tp -71.7 -44.83 63.52 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.157 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.83 -31.75 68.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.485 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 0.4 OUTLIER -71.06 -36.51 72.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.093 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.3 OUTLIER -71.04 -28.17 64.19 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.56 -17.63 60.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.195 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.83 6.22 29.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.3 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 39.9 mmtm -121.96 130.9 24.54 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 24.0 Cg_exo -65.58 -63.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.75 2.3 . . . . 10.0 111.128 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.7 m -142.77 123.72 14.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.883 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 0.3 OUTLIER -137.35 103.22 8.73 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.46 -179.733 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 26.8 Cg_endo -64.04 -35.86 51.69 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.461 2.107 . . . . 10.0 112.03 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.59 -42.22 59.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.447 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.741 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.5 mm? -72.53 -22.91 60.95 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.668 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 tp -79.08 -35.76 41.9 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.665 0.269 . . . . 10.0 110.406 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.79 80.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.056 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.49 64.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.825 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -71.96 -42.4 66.62 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.191 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -68.37 -35.64 78.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.719 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.484 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 46.6 t -72.11 -42.39 66.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.206 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -79.69 -18.97 50.07 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.897 0.703 . . . . 10.0 112.897 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 45.5 tp -74.04 -40.15 63.04 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.424 -0.954 . . . . 10.0 108.424 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.6 p -74.03 -27.67 61.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.883 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.659 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 32.6 mt-10 -66.89 -36.65 82.77 Favored 'General case' 0 N--CA 1.461 0.08 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.658 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.8 -32.16 73.53 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -68.63 -36.02 78.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.193 -0.912 . . . . 10.0 110.75 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' B' ' 53' ' ' GLU . 3.8 pp -72.6 -28.59 62.88 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.638 -0.425 . . . . 10.0 111.271 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -55.63 5.99 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.995 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 58' ' ' ARG . 0.3 OUTLIER -64.58 -38.02 89.56 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.073 0.397 . . . . 10.0 112.073 -178.26 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -76.85 -18.92 58.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.836 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.67 -53.48 11.64 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.404 ' O ' HG12 ' B' ' 65' ' ' VAL . 1.5 tt0 -58.86 -32.42 69.44 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.295 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 43.7 t -67.12 -43.14 83.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.057 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.552 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 81.0 m-20 -76.01 -31.09 58.74 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.84 HG21 HG11 ' B' ' 12' ' ' VAL . 2.2 m -64.27 -50.87 66.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.914 0.388 . . . . 10.0 111.256 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' B' ' 69' ' ' LYS . 11.3 p -72.01 -23.63 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.63 -0.713 . . . . 10.0 112.0 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -69.8 -50.92 38.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.014 0.746 . . . . 10.0 113.014 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -80.87 -34.14 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' B' ' 71' ' ' ILE . 2.5 t80 -62.93 -32.43 73.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 10.0 110.013 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' B' ' 65' ' ' VAL . 6.1 tptm -73.2 -38.66 66.03 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.646 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.26 -34.62 76.53 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' B' ' 68' ' ' PHE . 48.8 mt -62.58 -43.42 98.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ASP . . . . . 0.717 ' HA ' HD12 ' B' ' 75' ' ' ILE . 18.9 t70 -72.1 -24.08 61.43 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.331 -0.85 . . . . 10.0 112.169 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.93 98.99 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.861 0.363 . . . . 10.0 110.546 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.77 -37.0 79.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.228 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' B' ' 72' ' ' ASP . 95.7 mt -60.42 -51.09 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.313 -0.858 . . . . 10.0 111.828 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.19 -31.34 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -68.64 -32.54 72.48 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.832 0.308 . . . . 10.0 111.832 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -91.02 -21.04 21.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.874 0.368 . . . . 10.0 111.37 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.269 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 25.0 t90 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.952 0.406 . . . . 10.0 111.518 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -111.43 147.48 35.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.813 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.43 146.61 13.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.717 -0.754 . . . . 10.0 112.563 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' TYR . . . . . 0.412 ' O ' HG23 ' C' ' 12' ' ' VAL . 7.5 m-85 -67.07 -31.33 71.76 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.927 0.343 . . . . 10.0 111.927 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.583 ' H ' HD23 ' C' ' 9' ' ' LEU . 0.6 OUTLIER -69.18 -35.1 75.92 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.383 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.23 -27.83 62.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.685 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -70.34 -38.53 74.86 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.545 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.468 ' O ' ' HB2' ' C' ' 15' ' ' LYS . 21.6 t -67.91 -40.59 83.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.902 0.382 . . . . 10.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -64.56 -36.92 85.77 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.098 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.48 -23.41 61.03 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.127 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' C' ' 12' ' ' VAL . 37.9 mmtm -62.65 -47.73 82.41 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.952 0.405 . . . . 10.0 110.192 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.411 ' O ' HG22 ' C' ' 20' ' ' VAL . 31.6 m-85 -70.19 -30.66 67.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.245 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -64.8 -38.5 91.21 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 10.6 m -60.45 -38.96 85.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.823 0.344 . . . . 10.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.15 -33.16 50.43 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.01 -0.615 . . . . 10.0 113.012 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.411 HG22 ' O ' ' C' ' 16' ' ' PHE . 18.5 m -100.29 23.67 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.49 -55.96 28.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.636 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -89.21 -7.56 55.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.302 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.506 HD11 ' HD2' ' C' ' 50' ' ' LYS . 42.3 tp -70.9 -40.57 72.1 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -66.01 -29.55 69.94 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.861 0.362 . . . . 10.0 111.055 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.3 m -71.77 -30.74 65.88 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.7 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -75.8 -25.21 56.18 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.999 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 23' ' ' LEU . 82.0 t -68.47 -47.11 78.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.321 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 23.7 p -72.91 -27.94 62.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.647 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.85 -39.11 64.23 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.096 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.83 -24.11 55.8 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.713 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 tp -73.04 -44.23 61.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.499 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.87 -31.77 68.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.809 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' C' ' 33' ' ' LYS . 0.4 OUTLIER -68.52 -48.7 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.584 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.63 -25.69 65.86 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.495 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.78 66.0 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.92 23.76 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.771 0.656 . . . . 10.0 112.771 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.446 ' HA ' ' HD2' ' C' ' 38' ' ' PRO . 37.5 mmtm -118.05 111.02 39.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.514 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' C' ' 37' ' ' LYS . 10.1 Cg_endo -53.66 -65.19 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.204 2.602 . . . . 10.0 112.704 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -137.65 122.01 18.24 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.017 0.437 . . . . 10.0 110.907 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.756 ' HB3' ' HB2' ' C' ' 43' ' ' LEU . 0.6 OUTLIER -139.14 101.75 7.58 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.665 179.467 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.31 -35.42 62.52 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.434 2.089 . . . . 10.0 112.114 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -40.9 57.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.539 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.756 ' HB2' ' HB3' ' C' ' 40' ' ' ASP . 3.8 mm? -72.36 -26.64 61.98 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.181 0.437 . . . . 10.0 112.181 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 tp -76.16 -34.26 59.38 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.66 0.267 . . . . 10.0 110.887 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.11 73.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.22 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.51 -33.67 64.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.855 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -69.2 -44.11 72.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -69.33 -33.23 72.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.819 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 45.0 t -74.55 -42.03 59.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.508 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' LYS . . . . . 0.506 ' HD2' HD11 ' C' ' 23' ' ' LEU . 73.6 mmtt -75.09 -26.52 59.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.34 -37.71 63.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.702 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 94.3 p -70.24 -30.07 67.04 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.157 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.83 -35.97 79.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.771 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -64.23 -30.87 71.91 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.457 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -69.26 -42.51 75.47 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.214 -0.903 . . . . 10.0 111.616 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.0 OUTLIER -72.11 -29.52 64.16 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.727 0.64 . . . . 10.0 112.727 -179.38 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -51.34 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 10.0 111.127 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.762 ' NH2' ' HA ' ' D' ' 45' ' ' ALA . 0.0 OUTLIER -70.37 -35.03 73.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.017 -178.324 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -69.98 -30.03 67.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.697 0.284 . . . . 10.0 110.657 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.51 73.44 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.307 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.82 -49.49 68.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.382 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' SER . . . . . 0.694 ' HB3' HH12 ' C' ' 58' ' ' ARG . 21.8 p -66.15 -25.84 67.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.661 0.267 . . . . 10.0 111.404 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -73.11 -50.43 22.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.161 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 19.9 p -65.98 -37.53 86.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.519 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.622 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 25.2 t -61.72 -45.55 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.788 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -74.85 -43.1 56.31 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.1 0.778 . . . . 10.0 113.1 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.75 -56.4 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 112.188 0.44 . . . . 10.0 112.188 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -63.87 -24.52 67.77 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.704 0.288 . . . . 10.0 111.635 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.622 ' HB2' ' O ' ' C' ' 65' ' ' VAL . 0.0 OUTLIER -72.73 -37.93 67.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 179.714 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -71.87 -38.23 70.07 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.845 0.355 . . . . 10.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.68 -47.66 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.15 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.91 -27.98 67.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.834 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.94 98.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.715 0.293 . . . . 10.0 111.314 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.09 62.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.23 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 86.7 mt -68.44 -52.82 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.048 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.8 pp -66.95 -26.1 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -70.92 -31.94 68.71 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.814 0.34 . . . . 10.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 121.09 0.472 . . . . 10.0 110.188 178.486 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.632 0.253 . . . . 10.0 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.0 64.19 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.671 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -68.09 -39.3 82.9 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.606 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.469 ' O ' HG22 ' D' ' 20' ' ' VAL . 26.7 m-85 -71.76 -33.43 68.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.274 178.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.82 -38.46 91.04 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.213 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -59.21 -37.55 77.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.293 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.69 -36.36 43.15 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.947 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.469 HG22 ' O ' ' D' ' 16' ' ' PHE . 33.9 m -99.39 28.73 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 120.75 0.31 . . . . 10.0 111.751 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.92 -53.18 60.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.385 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -88.0 -7.87 56.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.293 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.458 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.2 OUTLIER -71.02 -42.52 69.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.61 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -65.8 -29.82 70.36 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 5.0 m -73.62 -29.82 62.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.539 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -77.32 -24.79 50.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.155 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.458 HG23 ' O ' ' D' ' 23' ' ' LEU . 96.5 t -73.44 -40.82 56.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.847 0.356 . . . . 10.0 110.11 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 18.7 p -75.96 -26.53 56.9 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.177 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -37.18 61.84 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.341 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.27 -23.83 51.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.255 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.64 -49.24 66.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.349 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.95 -31.27 67.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.063 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -36.21 76.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.402 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.551 HD21 HD12 ' D' ' 44' ' ' LEU . 0.2 OUTLIER -72.58 -26.3 61.66 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.994 0.426 . . . . 10.0 110.206 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.22 -25.67 68.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.652 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.48 24.67 9.78 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -143.69 109.2 5.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.659 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -73.79 -72.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.299 2.0 . . . . 10.0 111.796 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' SER . . . . . 0.577 ' OG ' ' HE3' ' A' ' 69' ' ' LYS . 9.6 m -83.38 123.32 29.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.68 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 8.7 m-20 -137.85 89.45 15.05 Favored Pre-proline 0 N--CA 1.452 -0.328 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.509 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 24.1 Cg_endo -65.83 -47.67 3.6 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 121.451 1.434 . . . . 10.0 111.608 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.01 -53.28 6.56 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.49 1.293 . . . . 10.0 114.49 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -33.49 70.19 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.68 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.9 OUTLIER -67.02 -29.47 69.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 45' ' ' ALA . . . . . 0.762 ' HA ' ' NH2' ' C' ' 58' ' ' ARG . . . -58.04 -39.35 78.17 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.499 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.57 -45.19 54.79 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.806 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -59.7 -49.94 75.79 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 48' ' ' GLN . . . . . 0.551 ' HG2' ' HB2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -61.87 -46.03 91.17 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 22.6 t -72.88 -38.99 66.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -76.94 -23.17 52.42 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.997 HD13 ' HD3' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -68.08 -51.11 50.24 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.424 -0.954 . . . . 10.0 108.424 177.787 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 52' ' ' SER . . . . . 0.519 ' N ' ' HG ' ' D' ' 51' ' ' LEU . 60.7 p -62.42 -30.33 71.15 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.771 -1.104 . . . . 10.0 110.998 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.77 -36.48 80.57 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.617 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 54' ' ' TYR . . . . . 0.46 ' HB3' ' O ' ' D' ' 51' ' ' LEU . 34.7 t80 -62.68 -33.2 74.59 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.311 -0.859 . . . . 10.0 109.854 178.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -60.58 -47.62 85.41 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.205 -0.907 . . . . 10.0 112.249 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' D' ' 56' ' ' LEU . 1.5 mm? -71.27 -28.01 63.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.565 0.95 . . . . 10.0 113.565 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -58.47 -50.95 71.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.829 0.347 . . . . 10.0 110.62 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 58' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' D' ' 58' ' ' ARG . 5.2 mmm180 -81.1 -36.39 30.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.434 0.901 . . . . 10.0 113.434 -178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.06 -51.49 31.58 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.62 -32.85 74.45 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.787 -0.188 . . . . 10.0 111.335 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 61' ' ' GLN . . . . . 0.482 ' O ' HG23 ' D' ' 65' ' ' VAL . 1.5 tm0? -65.79 -44.63 85.18 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.596 0.236 . . . . 10.0 110.536 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 62' ' ' SER . . . . . 0.405 ' HB3' HH12 ' D' ' 58' ' ' ARG . 84.2 p -70.45 -25.84 63.37 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.952 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.98 -48.18 54.7 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.823 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 35.8 p -64.73 -37.15 86.61 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.843 0.682 . . . . 10.0 112.843 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 65' ' ' VAL . . . . . 0.482 HG23 ' O ' ' D' ' 61' ' ' GLN . 77.3 t -62.27 -38.4 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.067 0.46 . . . . 10.0 110.065 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 tptp . . . . . 0 CA--C 1.53 0.206 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.761 -179.719 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.3 t90 . . . . . 0 C--O 1.234 0.25 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 p -157.32 142.79 17.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.989 0.423 . . . . 10.0 111.702 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.51 ' H ' ' HB3' ' A' ' 10' ' ' ASP . . . -162.21 -171.93 28.98 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.71 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 57.4 m-85 -67.45 -38.04 83.87 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 117.11 0.455 . . . . 10.0 110.897 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.71 -38.61 83.83 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.079 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.51 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 37.0 t70 -72.53 -31.53 65.39 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.941 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.03 -36.84 80.59 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.59 HG22 HD21 ' C' ' 31' ' ' LEU . 86.6 t -69.3 -41.23 80.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.29 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.7 m -67.08 -40.88 87.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.024 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.92 -24.46 59.68 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.957 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.855 ' HE3' ' HA ' ' C' ' 32' ' ' ASP . 15.7 tptp -67.36 -41.57 84.87 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.327 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.508 ' O ' HG22 ' A' ' 20' ' ' VAL . 34.6 m-85 -72.13 -32.0 66.52 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.026 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -65.46 -47.5 75.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.375 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -70.63 -23.55 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.909 0.385 . . . . 10.0 110.328 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.46 -36.26 62.9 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.925 -0.58 . . . . 10.0 112.778 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.604 HG12 HD21 ' A' ' 23' ' ' LEU . 35.2 m -119.86 31.01 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 111.807 0.299 . . . . 10.0 111.807 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -75.14 1.53 13.05 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -114.7 -40.79 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.817 0.303 . . . . 10.0 111.817 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.6 pp -69.74 -21.61 63.44 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 112.886 0.699 . . . . 10.0 112.886 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.8 -50.39 73.44 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.864 0.364 . . . . 10.0 110.97 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 t -70.99 -27.2 63.53 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.29 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -68.15 -28.93 67.72 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.173 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 23' ' ' LEU . 51.4 t -70.02 -46.47 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.943 0.401 . . . . 10.0 109.934 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -65.17 -41.43 94.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.381 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -65.88 -38.48 88.89 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.386 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.82 -24.5 60.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.217 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 tp -72.92 -39.76 66.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.545 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -70.42 -37.04 74.37 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.873 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -71.56 -28.31 63.76 Favored 'General case' 0 CA--C 1.527 0.09 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.302 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -69.43 -42.51 74.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.34 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.9 -16.17 60.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.153 -0.476 . . . . 10.0 112.09 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.26 0.46 43.18 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -124.45 130.77 24.2 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.545 -0.298 . . . . 10.0 111.333 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.81 -61.55 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.856 2.37 . . . . 10.0 111.58 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 p -133.66 124.78 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.126 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.626 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.4 99.3 9.72 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 -179.213 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 28.4 Cg_endo -64.36 -39.02 31.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.438 2.092 . . . . 10.0 112.43 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.87 -42.84 57.14 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.195 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.626 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.8 mm? -71.61 -23.59 61.73 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.8 tp -74.74 -40.41 61.28 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.523 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.19 77.17 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.785 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.36 -41.79 66.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.751 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -67.47 -33.45 75.14 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.009 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.98 -48.97 79.35 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.08 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -71.64 -40.44 69.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.676 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -65.74 -35.32 80.4 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -72.91 -34.22 66.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.944 0.402 . . . . 10.0 110.515 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 m -73.8 -31.62 63.34 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.985 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -67.67 -36.85 81.48 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.867 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -68.34 -32.44 72.55 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -68.98 -43.32 75.14 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.499 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.3 mm? -67.1 -31.08 71.32 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.207 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -43.62 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.586 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -73.02 -31.49 64.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.108 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -72.61 -47.25 49.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.231 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.05 -31.22 71.6 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.373 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' HG23 ' A' ' 65' ' ' VAL . 32.7 tt0 -72.31 -43.54 64.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -64.74 -28.63 69.72 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.62 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -73.65 -39.97 64.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.405 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.6 p -69.57 -37.56 77.03 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.482 0.549 . . . . 10.0 112.482 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 61' ' ' GLN . 24.8 t -68.15 -36.55 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.117 0.484 . . . . 10.0 110.401 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -70.46 -47.83 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.3 t -69.77 -46.55 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 114.269 1.211 . . . . 10.0 114.269 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.862 ' HE2' ' HB2' ' D' ' 39' ' ' SER . 79.2 t80 -57.36 -38.45 74.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.412 0.625 . . . . 10.0 110.544 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -68.83 -35.07 76.51 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.195 -0.911 . . . . 10.0 110.723 178.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.88 -28.34 63.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.51 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 67' ' ' VAL . 24.2 mt -61.59 -56.67 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.609 0.718 . . . . 10.0 109.83 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.742 ' HA ' HD12 ' A' ' 75' ' ' ILE . 15.6 m-20 -65.24 -26.63 68.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.521 -1.218 . . . . 10.0 112.925 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.2 92.89 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.776 0.322 . . . . 10.0 111.022 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.64 75.46 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.181 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 72' ' ' ASP . 14.9 mt -70.15 -35.39 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.469 0.652 . . . . 10.0 110.275 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.515 HD12 HD21 ' D' ' 44' ' ' LEU . 1.0 OUTLIER -62.43 -33.27 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.946 -1.025 . . . . 10.0 111.414 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.444 ' HG2' HG22 ' A' ' 76' ' ' ILE . 12.9 mm100 -78.63 -32.1 47.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.468 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' A' ' 75' ' ' ILE . 1.9 p-10 -88.65 2.79 52.56 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.244 0.545 . . . . 10.0 109.933 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.474 ' CD1' ' HB3' ' B' ' 63' ' ' ASN . 2.4 t80 -56.65 -83.75 0.01 OUTLIER 'General case' 0 C--N 1.343 0.296 0 CA-C-N 114.731 -1.122 . . . . 10.0 109.573 177.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.456 ' H ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.255 -0.879 . . . . 10.0 111.098 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.165 -0.374 . . . . 10.0 112.165 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' B' ' 12' ' ' VAL . 79.6 m-85 -67.14 -34.53 77.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 10.0 111.3 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.0 -39.02 72.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.303 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.63 -31.64 67.09 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.264 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.89 -36.94 81.1 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.348 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.542 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 86.9 t -67.81 -37.25 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.184 0.516 . . . . 10.0 110.25 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.3 m -70.01 -36.96 75.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.239 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.47 60.45 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.728 0.64 . . . . 10.0 112.728 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.854 ' HZ3' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -63.32 -40.05 96.25 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.795 0.331 . . . . 10.0 111.389 -179.785 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.55 ' O ' HG22 ' B' ' 20' ' ' VAL . 37.7 m-85 -75.63 -31.41 59.83 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.715 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.01 -52.5 59.24 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 112.797 0.665 . . . . 10.0 112.797 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -67.77 -22.47 65.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.356 0.598 . . . . 10.0 109.509 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.11 -44.75 53.39 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.168 -0.924 . . . . 10.0 115.179 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.701 HG12 HD21 ' B' ' 23' ' ' LEU . 22.7 m -115.44 29.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.153 0.501 . . . . 10.0 111.239 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.9 -19.19 63.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.487 -0.779 . . . . 10.0 111.912 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.6 -41.45 10.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.701 HD21 HG12 ' B' ' 20' ' ' VAL . 4.4 pp -68.71 -21.63 64.39 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 113.267 0.839 . . . . 10.0 113.267 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 96.0 mt-30 -57.67 -50.35 73.48 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.807 0.337 . . . . 10.0 111.171 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.9 t -71.56 -27.25 63.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.392 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -67.88 -30.38 69.72 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.294 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 23' ' ' LEU . 97.5 t -70.57 -44.65 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.98 0.419 . . . . 10.0 109.995 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -65.83 -40.02 91.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.022 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.47 -38.72 87.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.028 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.0 -24.96 61.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.187 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.8 tp -73.03 -40.12 65.4 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.462 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -70.44 -36.57 74.03 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.716 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -71.48 -25.21 62.18 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.08 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -44.33 69.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.58 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.84 -15.5 60.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.0 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.24 7.46 44.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.501 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 1.1 tppt? -131.91 128.54 21.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.167 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 33.5 Cg_exo -61.73 -58.82 0.35 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.914 2.409 . . . . 10.0 111.94 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.3 p -138.28 125.03 20.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.823 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -137.02 94.47 12.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.48 -35.96 46.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.393 2.062 . . . . 10.0 111.987 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.61 -43.47 47.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.1 -0.5 . . . . 10.0 112.05 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.644 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.8 mm? -71.18 -27.44 63.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.692 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -72.71 -34.96 67.46 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.948 -0.389 . . . . 10.0 109.948 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.38 87.51 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.433 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.09 -42.69 65.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.52 -33.68 76.47 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.191 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -62.92 -49.67 73.85 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.749 0.309 . . . . 10.0 111.31 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -71.63 -39.9 70.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.465 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -67.7 -34.8 77.62 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 tp -72.13 -30.54 65.15 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 71.4 m -74.4 -29.34 61.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.287 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -69.9 -36.19 75.21 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.469 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -67.19 -32.76 74.05 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -70.88 -34.08 71.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.603 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -41.38 95.41 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.651 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 1.2 t80 -68.05 -44.76 75.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.239 -0.891 . . . . 10.0 111.728 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' B' ' 58' ' ' ARG . 2.5 mmp_? -76.02 -17.61 59.6 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.145 0.794 . . . . 10.0 113.145 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.19 -63.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.17 -33.47 72.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.579 0.352 . . . . 10.0 110.8 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.558 ' O ' HG23 ' B' ' 65' ' ' VAL . 40.9 tt0 -62.48 -49.59 74.79 Favored 'General case' 0 C--O 1.226 -0.137 0 O-C-N 123.207 0.317 . . . . 10.0 111.208 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.5 m -64.71 -31.54 72.81 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.791 0.329 . . . . 10.0 110.954 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.509 ' O ' HG23 ' B' ' 67' ' ' VAL . 85.1 m-20 -70.05 -42.83 72.36 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.235 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 25.4 p -70.01 -37.79 75.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 61' ' ' GLN . 69.0 t -60.65 -37.56 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.761 0.315 . . . . 10.0 110.912 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -72.39 -41.62 66.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.562 0.578 . . . . 10.0 112.562 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.705 ' O ' HG13 ' B' ' 71' ' ' ILE . 21.6 t -62.14 -54.2 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' PHE . . . . . 0.773 ' HA ' HD12 ' B' ' 71' ' ' ILE . 67.8 t80 -58.97 -34.8 72.22 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -37.83 78.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.93 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.78 -18.9 60.4 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.287 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' B' ' 68' ' ' PHE . 82.9 mt -68.59 -55.54 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.101 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -70.34 -20.16 63.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.826 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.66 74.39 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.852 0.358 . . . . 10.0 110.722 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.58 -36.48 78.79 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.614 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.462 ' HA ' ' OD1' ' B' ' 78' ' ' ASN . 43.7 mt -69.59 -35.83 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.415 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -28.12 43.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.553 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -76.17 -36.84 58.53 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.765 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.462 ' OD1' ' HA ' ' B' ' 75' ' ' ILE . 2.7 p-10 -92.1 4.38 53.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.889 0.376 . . . . 10.0 111.175 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 17.9 t80 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.995 179.303 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 55.0 t90 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.716 0.293 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 30.9 p -152.51 152.17 31.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.35 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.44 -165.41 30.89 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.988 -0.625 . . . . 10.0 111.951 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' TYR . . . . . 0.406 ' O ' HG23 ' C' ' 12' ' ' VAL . 67.0 m-85 -67.28 -40.38 86.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.772 0.32 . . . . 10.0 111.526 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.38 -38.26 81.18 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.857 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.03 -32.83 67.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.381 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.95 -37.08 83.62 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.174 -0.467 . . . . 10.0 111.649 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 8' ' ' TYR . 95.2 t -67.98 -41.34 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.773 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m -66.32 -38.87 88.69 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.805 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 -24.57 58.84 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.394 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.21 -43.64 90.91 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.557 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.565 ' O ' HG22 ' C' ' 20' ' ' VAL . 59.1 m-85 -74.68 -32.83 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.133 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.54 -39.75 94.34 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 20.8 m -73.22 -30.38 63.46 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.953 0.406 . . . . 10.0 111.014 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.41 -25.53 67.92 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.598 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.565 HG22 ' O ' ' C' ' 16' ' ' PHE . 25.4 m -114.01 24.33 4.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.736 0.303 . . . . 10.0 111.592 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.12 30.44 0.52 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -145.57 -49.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 10.0 111.277 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.599 ' O ' HG23 ' C' ' 27' ' ' VAL . 0.0 OUTLIER -68.28 -20.04 64.75 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.451 ' N ' HD13 ' C' ' 23' ' ' LEU . 84.4 mt-30 -59.28 -49.28 78.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.85 0.357 . . . . 10.0 110.744 178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -69.49 -26.82 64.74 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -69.13 -25.69 64.51 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.618 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.599 HG23 ' O ' ' C' ' 23' ' ' LEU . 46.6 t -69.47 -48.79 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 109.535 -0.542 . . . . 10.0 109.535 178.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -66.17 -39.83 90.02 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.531 -0.758 . . . . 10.0 111.492 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.46 -42.5 92.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 -24.31 61.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.338 . . . . 10.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' LEU . . . . . 0.59 HD21 HG22 ' A' ' 12' ' ' VAL . 62.8 tp -71.81 -39.1 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.377 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ASP . . . . . 0.855 ' HA ' ' HE3' ' A' ' 15' ' ' LYS . 69.5 m-20 -70.12 -39.71 75.31 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.943 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.03 -23.29 61.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.201 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.84 -55.35 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.752 0.649 . . . . 10.0 112.752 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ALA . . . . . 0.484 ' HB1' ' HA ' ' A' ' 16' ' ' PHE . . . -76.54 -15.59 59.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.759 1.022 . . . . 10.0 113.759 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.32 18.76 14.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.301 0.572 . . . . 10.0 110.988 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.488 ' HA ' ' HD3' ' C' ' 37' ' ' LYS . 0.2 OUTLIER -144.75 122.72 6.59 Favored Pre-proline 0 N--CA 1.454 -0.227 0 CA-C-N 115.0 -1.0 . . . . 10.0 109.257 179.05 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -50.12 -69.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.597 2.865 . . . . 10.0 114.021 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 29.9 m -127.82 125.65 40.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.717 0.294 . . . . 10.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.718 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -137.2 93.43 13.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.842 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -63.6 -37.02 49.88 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.569 2.18 . . . . 10.0 112.608 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.0 -40.09 60.84 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.682 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.718 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.0 mm? -72.82 -22.63 60.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.85 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 36.6 tp -73.74 -44.37 56.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.811 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.11 80.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.876 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.56 -38.88 70.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.85 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' TYR . . . . . 0.408 ' O ' ' HG ' ' C' ' 51' ' ' LEU . 9.3 t80 -69.38 -34.47 74.59 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.032 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -59.67 -45.85 90.8 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.946 0.403 . . . . 10.0 110.848 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 43.9 t -71.9 -37.8 70.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.789 -0.642 . . . . 10.0 111.046 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' C' ' 50' ' ' LYS . 13.1 mmtm -58.44 -56.04 27.24 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.381 1.252 . . . . 10.0 114.381 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' C' ' 47' ' ' TYR . 0.4 OUTLIER -70.56 -29.81 66.36 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 52' ' ' SER . . . . . 0.463 ' O ' HD22 ' C' ' 56' ' ' LEU . 78.7 p -69.42 -30.51 68.48 Favored 'General case' 0 C--O 1.228 -0.075 0 C-N-CA 120.716 -0.394 . . . . 10.0 110.321 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.89 -37.08 78.79 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.4 -0.592 . . . . 10.0 109.4 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.56 -33.6 74.37 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.466 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.44 -49.83 69.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.147 -0.933 . . . . 10.0 111.369 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.463 HD22 ' O ' ' C' ' 52' ' ' SER . 0.3 OUTLIER -73.58 -27.79 61.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.246 0.832 . . . . 10.0 113.246 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 57' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -65.16 -43.08 92.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.083 0.468 . . . . 10.0 109.748 178.457 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.494 ' HG2' ' CE2' ' C' ' 57' ' ' TYR . 1.5 mmp_? -76.68 -31.66 57.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.544 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.59 -41.33 88.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.854 0.359 . . . . 10.0 110.18 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.01 -34.12 68.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.767 -0.652 . . . . 10.0 110.506 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.652 ' O ' HG23 ' C' ' 65' ' ' VAL . 39.6 tt0 -69.22 -39.65 78.44 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.583 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 62' ' ' SER . . . . . 0.467 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 58.6 m -65.34 -36.13 83.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.974 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 63' ' ' ASN . . . . . 0.401 ' O ' HG23 ' C' ' 67' ' ' VAL . 91.8 m-20 -72.8 -41.32 65.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.607 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 24.3 p -64.95 -37.56 88.05 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.652 HG23 ' O ' ' C' ' 61' ' ' GLN . 62.3 t -66.66 -52.66 43.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 66' ' ' LYS . . . . . 0.645 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 11.4 tmtt? -58.13 -42.44 85.85 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.479 0.918 . . . . 10.0 113.479 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 67' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 63' ' ' ASN . 74.4 t -65.95 -45.62 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -61.4 -32.75 72.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 10.0 111.569 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' C' ' 66' ' ' LYS . 0.8 OUTLIER -70.71 -36.53 73.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.194 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.61 -28.44 66.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.85 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.12 -50.18 55.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.926 0.393 . . . . 10.0 110.033 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -71.08 -21.83 62.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.697 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.9 73.99 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.72 0.295 . . . . 10.0 111.096 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.49 -36.07 68.32 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.634 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.439 ' HA ' ' OD1' ' C' ' 78' ' ' ASN . 45.7 mt -74.14 -33.61 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.296 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mp -69.01 -30.28 46.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.433 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -82.63 -27.31 31.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.772 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' ASN . . . . . 0.439 ' OD1' ' HA ' ' C' ' 75' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 121.041 0.448 . . . . 10.0 110.616 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.829 0.347 . . . . 10.0 110.864 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.27 58.56 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.294 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -67.28 -39.55 86.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.795 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.433 ' O ' HG22 ' D' ' 20' ' ' VAL . 49.1 m-85 -77.52 -34.21 54.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.002 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.13 -43.73 90.99 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -77.17 -26.57 53.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.922 0.392 . . . . 10.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.12 -38.07 92.0 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.87 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.433 HG22 ' O ' ' D' ' 16' ' ' PHE . 34.4 m -118.81 31.4 2.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.916 0.389 . . . . 10.0 111.301 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.71 -26.76 68.51 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.822 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -85.64 -30.75 23.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.302 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.51 ' O ' HG23 ' D' ' 27' ' ' VAL . 46.9 mt -70.11 -24.97 63.28 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.05 -49.35 76.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.716 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -72.11 -27.09 62.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.181 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -67.84 -33.17 74.25 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.554 -0.294 . . . . 10.0 111.563 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 23' ' ' LEU . 89.9 t -72.07 -40.65 67.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.605 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 18.1 m -65.59 -41.21 93.11 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.903 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.17 -31.74 70.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.391 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.515 ' O ' ' HB2' ' D' ' 34' ' ' LEU . . . -73.3 -24.48 60.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.171 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.37 -43.12 61.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.791 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -70.15 -35.47 74.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.188 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -42.21 69.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.376 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.641 ' HB3' ' HE2' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -68.58 -29.27 67.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.401 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 35' ' ' ALA . . . . . 0.854 ' HA ' ' HZ3' ' B' ' 15' ' ' LYS . . . -55.54 -43.75 76.08 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.872 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.386 . . -111.55 24.24 13.0 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 115.541 1.682 . . . . 10.0 115.541 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 37' ' ' LYS . . . . . 0.522 ' HD3' ' HA ' ' D' ' 37' ' ' LYS . 32.3 mmtm -123.78 107.61 31.17 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 107.172 -1.418 . . . . 10.0 107.172 176.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -67.97 -73.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.72 2.28 . . . . 10.0 113.11 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' SER . . . . . 0.862 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . 2.3 p -104.02 120.26 40.68 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.81 ' HB2' ' HB2' ' D' ' 43' ' ' LEU . 0.3 OUTLIER -142.13 106.7 5.7 Favored Pre-proline 0 C--O 1.217 -0.61 0 N-CA-C 114.579 1.326 . . . . 10.0 114.579 -178.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 33.0 Cg_endo -66.17 -45.35 5.77 Favored 'Trans proline' 0 C--N 1.333 -0.28 0 C-N-CA 122.849 2.366 . . . . 10.0 112.874 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.8 -43.83 35.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.355 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.81 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 3.7 mm? -68.36 -23.04 64.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.356 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -79.9 -39.13 31.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.53 178.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.17 92.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.014 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.71 -48.75 58.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -63.97 -33.48 75.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.963 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -62.56 -49.58 74.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.3 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 46.8 t -75.15 -38.81 60.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -70.09 -34.79 73.6 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -69.4 -40.51 77.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.147 0.499 . . . . 10.0 110.069 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 62.8 p -73.76 -28.54 61.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.309 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -63.82 -36.39 83.73 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.74 -37.61 87.26 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.109 -0.95 . . . . 10.0 109.704 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -63.14 -45.78 90.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.201 -0.908 . . . . 10.0 112.292 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.2 mm? -69.41 -27.98 65.76 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -40.05 80.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 58' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' D' ' 58' ' ' ARG . 1.7 mmp_? -75.81 -35.13 60.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.822 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.64 -46.87 65.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.034 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.03 93.47 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.184 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 61' ' ' GLN . . . . . 0.584 ' O ' HG23 ' D' ' 65' ' ' VAL . 36.4 tt0 -69.14 -35.38 76.29 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.144 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 58.3 m -71.15 -28.93 64.62 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.798 0.333 . . . . 10.0 111.038 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.99 -37.66 66.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.39 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 34.1 p -68.66 -37.42 79.64 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 65' ' ' VAL . . . . . 0.584 HG23 ' O ' ' D' ' 61' ' ' GLN . 21.8 t -66.38 -34.47 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.935 0.398 . . . . 10.0 110.009 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? . . . . . 0 CA--C 1.532 0.26 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.898 -179.83 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.644 0.259 . . . . 10.0 111.54 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 p -160.05 145.58 15.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.054 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.0 -177.55 33.19 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.313 -0.946 . . . . 10.0 114.008 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -66.6 -30.52 70.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.912 0.387 . . . . 10.0 111.015 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -73.9 -34.08 64.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.516 179.824 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.481 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 12.3 m-20 -70.21 -27.95 64.89 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.986 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -74.34 -36.95 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.567 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.11 -45.0 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.313 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 p -65.62 -39.14 91.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.204 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.74 -23.03 59.7 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.965 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -63.49 -44.44 94.34 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.37 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.504 ' O ' HG22 ' A' ' 20' ' ' VAL . 61.2 m-85 -74.0 -30.55 62.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.672 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.81 -50.41 64.75 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 m -66.88 -23.57 66.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.069 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' C' ' 35' ' ' ALA . . . -72.34 -52.6 10.3 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.612 -0.722 . . . . 10.0 112.849 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 16' ' ' PHE . 26.9 m -99.03 31.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.914 0.388 . . . . 10.0 111.577 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.56 -52.16 66.34 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.318 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -88.87 -14.59 36.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.809 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 tm? -70.66 -37.69 73.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.508 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -63.48 -40.69 97.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.969 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -70.63 -26.4 63.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.617 0.246 . . . . 10.0 111.51 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -72.11 -27.1 62.42 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.504 -0.317 . . . . 10.0 110.895 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 23' ' ' LEU . 42.3 t -70.22 -48.28 62.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.149 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.9 p -65.99 -34.91 79.18 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.846 -0.615 . . . . 10.0 112.006 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -68.94 -29.56 67.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.907 0.385 . . . . 10.0 110.651 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.5 -26.93 61.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.914 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 31' ' ' LEU . 1.2 mm? -72.65 -37.03 68.1 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.714 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -70.2 -34.49 72.99 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.682 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 60.6 mttp -70.94 -41.58 70.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.912 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -25.89 66.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.085 -0.507 . . . . 10.0 112.06 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.45 -21.3 62.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.135 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.86 7.89 17.14 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 111.788 0.292 . . . . 10.0 111.788 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 44.3 mmtm -117.06 122.93 30.65 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.686 -0.234 . . . . 10.0 111.524 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 19.6 Cg_exo -67.68 -66.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.962 2.441 . . . . 10.0 111.516 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -127.82 123.25 34.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.936 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.61 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -138.57 96.94 9.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.787 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.81 -37.05 47.45 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.324 2.016 . . . . 10.0 112.315 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.87 -46.09 32.04 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.61 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.5 mm? -69.4 -29.13 66.8 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 11.9 tp -72.93 -35.76 67.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.636 0.255 . . . . 10.0 111.184 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.72 -36.74 76.15 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.769 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.99 -31.35 64.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.761 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -72.76 -39.22 66.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.395 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 45.6 mt-30 -65.74 -37.58 86.76 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.138 0.421 . . . . 10.0 112.138 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.4 p -73.28 -39.11 65.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -75.11 -23.62 57.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.841 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 tp -74.72 -39.79 61.69 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.252 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 p -72.86 -29.65 63.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.798 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' C' ' 38' ' ' PRO . 46.6 mt-10 -66.74 -36.75 83.17 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.122 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -66.67 -35.06 79.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.773 -0.648 . . . . 10.0 110.027 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -66.48 -38.98 88.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.695 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.92 -32.7 72.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.819 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' HD1' ' HB3' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -64.08 -45.66 87.71 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.812 179.251 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.29 -31.55 60.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.413 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -65.21 -54.43 29.67 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.176 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.51 -31.43 72.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.997 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -69.02 -48.73 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.658 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.1 p -71.09 -27.26 63.49 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 67' ' ' VAL . 8.3 m-80 -70.69 -39.82 73.27 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.144 0.424 . . . . 10.0 112.144 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.0 p -69.68 -38.43 77.03 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.21 -38.45 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.855 0.359 . . . . 10.0 111.632 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -76.0 -33.09 59.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.296 1.221 . . . . 10.0 114.296 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.2 t -77.58 -42.89 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.349 -0.541 . . . . 10.0 111.855 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.8 -35.44 76.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.995 0.426 . . . . 10.0 110.512 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -71.94 -35.61 69.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.984 179.146 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.58 -36.57 82.95 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.953 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 67' ' ' VAL . 38.9 mt -59.0 -52.48 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-O 121.476 0.655 . . . . 10.0 110.301 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 76' ' ' ILE . 3.1 m-20 -70.12 -19.51 63.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.866 -1.061 . . . . 10.0 113.211 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 76' ' ' ILE . . . -66.54 -39.39 88.56 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.221 0.534 . . . . 10.0 109.648 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.07 -27.7 61.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.599 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.798 HD11 ' NE ' ' C' ' 58' ' ' ARG . 10.1 mm -64.4 -52.71 51.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 115.133 -0.94 . . . . 10.0 111.063 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.676 ' HA ' ' HB2' ' A' ' 79' ' ' PHE . 12.5 pt -64.91 -24.37 35.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.525 -0.761 . . . . 10.0 112.694 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -74.34 -29.17 61.47 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.296 -0.562 . . . . 10.0 110.045 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.95 7.42 41.4 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.391 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.676 ' HB2' ' HA ' ' A' ' 76' ' ' ILE . 1.2 t80 -66.18 -82.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.056 -0.975 . . . . 10.0 110.271 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.563 ' HD3' ' OD1' ' B' ' 63' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.093 -0.956 . . . . 10.0 111.674 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.583 -0.207 . . . . 10.0 112.583 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -67.16 -32.24 73.21 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.738 0.273 . . . . 10.0 111.738 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -33.81 71.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.053 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -72.15 -28.08 63.01 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.989 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.27 -39.2 65.58 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.515 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.37 -38.0 80.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.735 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 38.4 m -65.95 -44.35 85.28 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.557 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.05 -22.94 62.06 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.392 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.416 ' HG3' ' HB2' ' D' ' 35' ' ' ALA . 9.3 tptt -62.96 -46.62 86.89 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.733 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.569 ' HB3' ' HD1' ' B' ' 57' ' ' TYR . 66.9 m-85 -75.06 -28.31 60.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.618 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.27 -50.72 64.67 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.6 p -66.61 -22.64 66.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.55 -52.84 9.32 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 115.316 -0.856 . . . . 10.0 112.774 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.512 HG22 ' O ' ' B' ' 16' ' ' PHE . 15.9 m -101.92 31.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.16 0.505 . . . . 10.0 111.957 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.6 -52.07 64.84 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.552 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.404 ' O ' HG22 ' B' ' 25' ' ' THR . 39.6 m-80 -91.07 -13.62 32.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.413 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.489 ' O ' HG23 ' B' ' 27' ' ' VAL . 3.2 tm? -71.11 -36.78 72.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.132 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -64.45 -40.11 95.09 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.692 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.404 HG22 ' O ' ' B' ' 22' ' ' ASN . 9.9 t -70.57 -26.33 63.48 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.617 -0.265 . . . . 10.0 111.404 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -72.45 -27.57 62.4 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.727 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 23' ' ' LEU . 42.9 t -70.52 -45.84 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.308 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.3 p -68.69 -33.93 74.8 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.564 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.08 -29.79 67.97 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.387 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.43 62.88 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.648 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' B' ' 31' ' ' LEU . 1.6 mm? -72.01 -36.93 69.85 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.623 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -70.4 -34.56 72.67 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.431 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -71.23 -37.0 72.03 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.82 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.15 -27.51 65.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.573 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.65 60.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.581 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.67 3.86 18.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.519 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 41.6 mmtm -121.09 125.72 26.88 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.44 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 21.7 Cg_exo -67.5 -57.73 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.843 2.362 . . . . 10.0 111.026 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 64.7 m -136.77 124.17 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.418 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.584 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.9 OUTLIER -137.36 94.83 11.92 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.806 -179.522 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.28 -35.32 51.94 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.199 1.933 . . . . 10.0 112.198 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.49 -45.87 35.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.101 -0.499 . . . . 10.0 112.095 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.0 mm? -71.84 -24.51 61.71 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.0 tp -73.12 -40.24 65.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.525 0.202 . . . . 10.0 110.664 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.39 -32.81 73.14 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.959 0.409 . . . . 10.0 110.418 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.96 65.67 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.407 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -72.19 -34.47 68.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.979 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.51 -39.9 95.66 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.38 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -76.26 -46.65 27.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.104 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.508 ' HD3' ' OE1' ' B' ' 53' ' ' GLU . 30.6 mmtm -62.8 -32.5 73.69 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.019 0.748 . . . . 10.0 113.019 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 tp -72.66 -43.05 63.66 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.116 0.484 . . . . 10.0 110.544 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -68.33 -28.7 67.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.868 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.508 ' OE1' ' HD3' ' B' ' 50' ' ' LYS . 32.8 mt-10 -67.95 -35.57 78.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.016 178.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -61.65 -33.27 73.67 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -68.41 -31.17 70.32 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.183 -0.917 . . . . 10.0 110.656 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -33.82 76.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.046 0.451 . . . . 10.0 110.755 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' TYR . . . . . 0.569 ' HD1' ' HB3' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -69.9 -49.11 55.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.6 -0.727 . . . . 10.0 112.226 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -32.49 61.83 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 -178.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.427 ' HB3' HD12 ' A' ' 76' ' ' ILE . 51.2 m-20 -67.7 -58.61 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.42 -30.86 70.84 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.521 0.201 . . . . 10.0 110.729 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 57' ' ' TYR . 1.8 tt0 -63.28 -46.86 84.85 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.523 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' SER . . . . . 0.504 ' HB3' ' HE2' ' B' ' 66' ' ' LYS . 37.4 m -68.36 -35.31 77.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.934 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.563 ' OD1' ' HD3' ' A' ' 80' ' ' ARG . 17.6 m-80 -62.71 -44.68 95.6 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.435 0.531 . . . . 10.0 112.435 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 27.4 p -70.11 -42.28 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.64 -34.57 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.504 ' HE2' ' HB3' ' B' ' 62' ' ' SER . 43.4 mttm -74.1 -37.45 64.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 114.077 1.14 . . . . 10.0 114.077 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.03 -40.25 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -65.75 -34.69 78.76 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' B' ' 69' ' ' LYS . 37.4 mmtm -74.05 -35.03 64.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.261 178.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.29 -43.3 74.11 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.682 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.478 HG21 ' OD1' ' D' ' 55' ' ' ASN . 48.4 pt -67.8 -33.42 61.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.081 0.467 . . . . 10.0 110.479 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' B' ' 75' ' ' ILE . 4.1 t70 -72.72 -28.4 62.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.375 178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.56 72.63 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.355 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.09 73.31 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.627 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' B' ' 72' ' ' ASP . 37.2 mt -64.7 -46.12 93.2 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.596 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 72' ' ' ASP . 22.4 mt -57.46 -37.72 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.293 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -66.84 -37.58 84.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 10.0 111.36 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -96.06 9.67 40.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.362 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' B' ' 75' ' ' ILE . 2.7 t80 . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.955 0.407 . . . . 10.0 111.487 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 2.3 t90 . . . . . 0 N--CA 1.462 0.159 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -159.18 153.06 23.2 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.79 -171.77 31.43 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.201 -0.523 . . . . 10.0 112.412 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -67.3 -33.64 75.7 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.226 0.454 . . . . 10.0 112.226 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.558 ' H ' HD23 ' C' ' 9' ' ' LEU . 1.1 pt? -66.85 -29.0 68.79 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.91 -28.89 63.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.362 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -74.71 -36.73 62.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.338 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -68.26 -44.98 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.391 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 31.0 p -65.06 -39.34 93.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.031 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.0 -23.0 60.58 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.213 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -64.43 -42.77 95.83 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.201 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.533 ' HB3' ' HD1' ' C' ' 57' ' ' TYR . 44.6 m-85 -74.5 -32.23 62.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.472 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -64.93 -40.58 95.27 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -73.74 -27.16 61.04 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.936 0.398 . . . . 10.0 111.02 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.29 -41.52 37.85 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.044 -0.598 . . . . 10.0 112.719 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.525 HG22 ' O ' ' C' ' 16' ' ' PHE . 34.6 m -102.14 27.11 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.639 0.256 . . . . 10.0 111.677 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.67 -51.22 70.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.934 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -92.64 -12.96 30.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.828 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.441 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.2 tm? -70.94 -40.37 72.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.305 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -64.05 -38.16 90.05 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -72.07 -26.78 62.3 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.532 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -73.13 -25.7 60.94 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.773 0.32 . . . . 10.0 110.724 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 23' ' ' LEU . 87.9 t -71.65 -47.78 55.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.341 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.5 p -66.53 -33.75 76.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.577 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.54 -29.52 68.11 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.929 0.395 . . . . 10.0 110.417 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.91 -26.56 60.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.827 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' C' ' 31' ' ' LEU . 0.9 OUTLIER -71.38 -42.18 68.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.552 179.096 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.41 -31.3 68.45 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.641 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' C' ' 37' ' ' LYS . 0.2 OUTLIER -69.83 -46.07 66.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.461 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -26.03 66.27 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.437 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ALA . . . . . 0.435 ' O ' ' HA3' ' A' ' 19' ' ' GLY . . . -57.07 -35.83 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.72 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.56 25.33 9.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' C' ' 37' ' ' LYS . 33.6 mmtm -116.44 113.76 40.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.205 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' C' ' 37' ' ' LYS . 10.5 Cg_endo -53.46 -72.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.359 2.706 . . . . 10.0 112.69 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -130.54 124.33 31.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.674 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.742 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.5 OUTLIER -137.91 93.58 11.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.814 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.95 -36.66 48.26 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.234 1.956 . . . . 10.0 112.198 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.41 -41.73 55.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.262 -0.426 . . . . 10.0 112.002 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.742 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.6 mm? -71.47 -28.7 64.12 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 tp -72.98 -36.18 67.02 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.76 0.314 . . . . 10.0 110.863 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.89 72.2 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.403 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.47 64.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.677 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -72.31 -39.8 67.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.08 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.27 -37.36 80.64 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 68.8 p -71.91 -38.79 69.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.453 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -78.54 -22.3 47.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 10.0 111.711 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -75.06 -35.65 61.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 10.0 110.586 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 73.6 p -73.32 -31.32 63.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.941 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.33 -35.98 82.63 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.444 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -65.66 -34.46 78.25 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.862 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -71.14 -38.93 72.24 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.224 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' C' ' 56' ' ' LEU . 0.5 OUTLIER -73.56 -31.34 63.58 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 -179.306 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 57' ' ' TYR . . . . . 0.533 ' HD1' ' HB3' ' C' ' 16' ' ' PHE . 0.0 OUTLIER -65.84 -42.93 89.9 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.741 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.798 ' NE ' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -75.59 -34.34 60.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.085 -0.961 . . . . 10.0 111.4 -179.304 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 59' ' ' ASN . . . . . 0.405 ' HA ' ' NH2' ' C' ' 58' ' ' ARG . 7.9 m-20 -64.48 -43.19 94.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.998 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.43 -29.83 67.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.242 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.402 ' O ' HG12 ' C' ' 65' ' ' VAL . 32.4 tt0 -69.2 -46.37 67.59 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.247 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 62' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' C' ' 66' ' ' LYS . 59.5 p -71.62 -26.51 62.6 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.867 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 63' ' ' ASN . . . . . 0.467 ' O ' HG23 ' C' ' 67' ' ' VAL . 3.1 m-80 -75.34 -44.96 42.39 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -63.41 -38.91 92.95 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.402 HG12 ' O ' ' C' ' 61' ' ' GLN . 2.1 p -65.37 -45.5 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 121.082 -0.247 . . . . 10.0 111.488 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 66' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' C' ' 62' ' ' SER . 32.4 mmtm -66.3 -27.75 68.15 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 67' ' ' VAL . . . . . 0.467 HG23 ' O ' ' C' ' 63' ' ' ASN . 95.7 t -78.42 -54.21 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -61.39 -34.83 76.0 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.615 ' HE3' ' HA ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -72.2 -34.56 68.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.195 179.339 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.3 -34.03 76.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.653 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' ILE . . . . . 0.437 HG13 ' O ' ' C' ' 67' ' ' VAL . 83.9 mt -63.4 -44.44 98.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.603 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.38 -21.7 62.83 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.198 -0.456 . . . . 10.0 112.189 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.75 -41.59 83.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.02 0.438 . . . . 10.0 110.533 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.19 -28.83 61.47 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.182 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.69 -47.18 83.93 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.36 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -30.09 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -66.51 -33.18 75.11 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.946 0.403 . . . . 10.0 110.832 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.915 179.381 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 43.3 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.618 0.247 . . . . 10.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -23.01 61.28 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.349 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -66.72 -38.53 86.88 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-O 120.931 0.396 . . . . 10.0 110.47 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.406 ' O ' HG22 ' D' ' 20' ' ' VAL . 64.5 m-85 -77.35 -34.76 55.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.203 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -65.5 -46.23 80.5 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.842 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -79.77 -24.45 41.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.67 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.93 -45.86 70.71 Favored Glycine 0 C--N 1.329 0.175 0 C-N-CA 120.855 -0.688 . . . . 10.0 112.952 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.693 ' HB ' HD21 ' D' ' 23' ' ' LEU . 33.4 m -113.62 32.16 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.31 0.576 . . . . 10.0 111.621 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.54 -30.73 69.94 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.24 -0.891 . . . . 10.0 113.2 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' ASN . . . . . 0.42 ' O ' HG22 ' D' ' 25' ' ' THR . 14.0 m-80 -87.68 -36.99 17.11 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.764 1.394 . . . . 10.0 114.764 -178.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.705 HD13 ' H ' ' D' ' 23' ' ' LEU 0.418 0.0 OUTLIER -71.39 -20.2 62.17 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 114.335 1.235 . . . . 10.0 114.335 -179.941 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -61.03 -44.5 97.32 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.42 HG22 ' O ' ' D' ' 22' ' ' ASN . 15.1 t -73.18 -26.57 61.23 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.374 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -69.0 -26.67 65.13 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.727 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.544 HG23 ' O ' ' D' ' 23' ' ' LEU . 96.3 t -73.25 -48.19 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.043 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.058 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.3 p -63.85 -32.93 74.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.213 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -71.94 -29.54 64.39 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.683 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.29 -28.02 61.87 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.737 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' D' ' 31' ' ' LEU . 0.3 OUTLIER -73.15 -36.88 66.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.852 179.338 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.55 -36.09 81.83 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.785 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' LYS . . . . . 0.594 ' O ' ' HG2' ' D' ' 37' ' ' LYS . 62.3 mttp -71.4 -45.98 61.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.259 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -25.38 68.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.607 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 35' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' B' ' 15' ' ' LYS . . . -51.16 -37.28 45.46 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.72 24.77 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' LYS . . . . . 0.601 ' HB3' ' OD1' ' D' ' 40' ' ' ASP . 42.8 mmtm -116.55 107.86 46.1 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.25 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.49 -75.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.727 2.285 . . . . 10.0 112.38 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' SER . . . . . 0.48 ' OG ' HD22 ' A' ' 9' ' ' LEU . 64.3 p -109.45 123.78 49.94 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 178.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.601 ' OD1' ' HB3' ' D' ' 37' ' ' LYS . 0.4 OUTLIER -137.3 102.88 8.82 Favored Pre-proline 0 N--CA 1.442 -0.825 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -177.393 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' D' ' 40' ' ' ASP . 24.0 Cg_endo -65.05 -45.79 7.24 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.292 1.995 . . . . 10.0 112.238 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.22 -53.51 7.26 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.737 1.014 . . . . 10.0 113.737 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.72 -33.8 73.43 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 114.52 1.304 . . . . 10.0 114.52 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.562 ' CD1' ' HB2' ' D' ' 40' ' ' ASP . 5.0 mp -76.54 -32.9 58.5 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.94 91.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.958 0.409 . . . . 10.0 110.936 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.42 -32.52 70.17 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.398 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -72.8 -36.17 67.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.327 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 48' ' ' GLN . . . . . 0.52 ' HB3' ' HZ1' ' C' ' 66' ' ' LYS . 37.0 mt-30 -60.99 -43.08 99.39 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.201 0.313 . . . . 10.0 111.729 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.8 p -68.4 -40.16 81.42 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -77.74 -19.16 55.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.963 0.411 . . . . 10.0 111.423 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.92 -46.66 51.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.637 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 69.4 p -74.0 -27.48 60.98 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.574 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -62.35 -35.93 80.64 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.03 -36.64 83.81 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.431 -0.804 . . . . 10.0 108.842 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 55' ' ' ASN . . . . . 0.478 ' OD1' HG21 ' B' ' 71' ' ' ILE . 0.8 OUTLIER -56.44 -53.24 59.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.439 -1.255 . . . . 10.0 111.514 179.139 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.03 -29.04 64.85 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -45.1 92.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.034 0.445 . . . . 10.0 110.583 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -31.11 50.12 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.244 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -63.11 -55.91 21.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.575 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.06 -31.43 72.65 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 61' ' ' GLN . . . . . 0.401 ' O ' HG23 ' D' ' 65' ' ' VAL . 51.5 tt0 -69.51 -49.93 49.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 62' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' D' ' 66' ' ' LYS . 92.5 p -68.59 -32.44 72.35 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -65.83 -37.19 85.56 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 33.7 p -69.77 -37.6 76.45 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 65' ' ' VAL . . . . . 0.428 HG23 ' H ' ' D' ' 65' ' ' VAL . 2.1 t -59.42 -44.42 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.921 0.391 . . . . 10.0 111.927 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 66' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' D' ' 62' ' ' SER . 33.7 mmtm . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 113.788 1.033 . . . . 10.0 113.788 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.553 ' HZ2' HD23 ' B' ' 23' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.387 0.137 . . . . 10.0 110.74 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.2 p -141.73 153.68 44.78 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 111.783 0.29 . . . . 10.0 111.783 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.99 168.46 41.6 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.522 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -66.66 -37.97 85.87 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' D' ' 39' ' ' SER . 0.6 OUTLIER -74.92 -30.61 61.31 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.774 179.503 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.451 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 13.9 m-20 -69.43 -34.99 75.25 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.291 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -71.51 -36.18 70.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.26 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -73.49 -28.08 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.877 0.37 . . . . 10.0 111.753 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -73.27 -43.27 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 10.0 110.836 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.42 -25.64 62.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.906 -0.588 . . . . 10.0 112.145 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.643 ' HG2' ' O ' ' A' ' 12' ' ' VAL . 18.2 ptmt -70.14 -38.39 75.51 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.57 0.224 . . . . 10.0 111.259 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' O ' HG22 ' A' ' 20' ' ' VAL . 13.4 m-85 -70.34 -34.57 72.81 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.115 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -66.23 -50.94 62.08 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -68.17 -23.63 64.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 10.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.27 -36.0 70.33 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.538 -0.756 . . . . 10.0 113.315 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 16' ' ' PHE . 29.3 m -115.76 31.85 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.948 0.404 . . . . 10.0 111.271 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.77 -7.11 46.21 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.458 ' O ' HG22 ' A' ' 25' ' ' THR . 17.0 t-20 -116.33 -23.74 8.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 10.0 109.924 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -65.77 -30.69 71.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.937 -1.029 . . . . 10.0 110.992 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.84 -44.99 94.66 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 22' ' ' ASN . 12.3 t -68.74 -26.31 65.18 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.785 0.326 . . . . 10.0 111.278 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -69.75 -27.53 65.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.173 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 23' ' ' LEU . 21.9 t -72.76 -45.03 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.61 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.5 p -68.26 -26.68 65.8 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.476 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' O ' ' HD3' ' A' ' 33' ' ' LYS . 26.2 tt0 -66.45 -49.44 66.67 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.236 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.25 -24.19 63.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.756 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -70.83 -36.3 72.84 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.95 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -67.64 -38.29 83.62 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.767 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HD3' ' O ' ' A' ' 29' ' ' GLU . 5.5 mppt? -71.38 -26.41 62.77 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.488 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -77.87 -26.03 49.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.847 -179.55 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -23.16 63.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.27 6.38 24.53 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 44.4 mmtm -116.56 126.73 27.3 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.602 0.239 . . . . 10.0 111.619 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 9.7 Cg_exo -72.56 -68.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.993 2.462 . . . . 10.0 111.2 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -121.8 123.91 42.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.609 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.673 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -137.67 98.81 9.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.488 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 26.4 Cg_endo -63.76 -41.35 24.7 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.468 2.112 . . . . 10.0 112.631 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.27 -43.06 43.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.673 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.1 mm? -70.34 -27.33 64.27 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.77 -31.85 67.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.553 0.216 . . . . 10.0 111.535 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.78 75.64 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.833 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.41 65.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.428 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -72.27 -35.16 68.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.828 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -67.67 -43.25 80.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.859 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 m -69.18 -39.08 78.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.258 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -73.38 -27.41 61.46 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.382 0.512 . . . . 10.0 112.382 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -72.64 -39.45 67.19 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.3 m -71.01 -29.74 65.77 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.001 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.44 -37.3 87.04 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.252 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -67.92 -35.65 78.82 Favored 'General case' 0 C--N 1.337 0.038 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.629 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -74.97 -19.83 59.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.07 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -73.36 -45.39 55.3 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.585 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -33.44 66.86 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.894 0.378 . . . . 10.0 111.234 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -41.37 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.199 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -77.38 -32.59 55.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.257 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.79 83.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.725 0.297 . . . . 10.0 110.996 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.44 ' O ' HG22 ' A' ' 65' ' ' VAL . 32.1 tt0 -71.2 -41.27 70.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.328 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.444 ' HB2' ' HB1' ' B' ' 45' ' ' ALA . 51.5 p -71.87 -25.6 62.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.584 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 67' ' ' VAL . 68.1 m-20 -76.16 -36.86 58.55 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 111.921 0.341 . . . . 10.0 111.921 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -42.6 88.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.741 0.305 . . . . 10.0 111.209 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.591 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 15.8 m -80.01 -15.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.983 0.735 . . . . 10.0 112.983 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 62' ' ' SER . 3.6 ttpp -85.28 -47.53 9.96 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 120.655 -0.418 . . . . 10.0 111.673 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 63' ' ' ASN . 6.5 t -69.22 -35.47 68.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 10.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CZ ' ' HD3' ' D' ' 41' ' ' PRO . 10.5 t80 -70.48 -39.53 74.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.966 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -65.84 -33.42 75.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.165 179.135 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.12 -47.29 74.62 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.799 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.807 HD11 ' HB3' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -70.05 -34.55 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.062 0.458 . . . . 10.0 111.071 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.22 -46.82 72.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.97 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.93 -33.89 67.43 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.62 -48.6 76.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.004 0.43 . . . . 10.0 110.374 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.83 -50.59 74.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.818 0.818 . . . . 10.0 110.186 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.594 HD11 HD13 ' D' ' 44' ' ' LEU . 0.8 OUTLIER -56.41 -44.93 81.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.836 -1.074 . . . . 10.0 113.518 -179.035 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -76.7 -11.24 59.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.12 0.486 . . . . 10.0 111.688 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.537 ' C ' ' H ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -77.57 -19.11 56.18 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.584 178.697 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.68 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 41.9 m-85 -66.95 28.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.254 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.537 ' H ' ' C ' ' A' ' 78' ' ' ASN . 43.9 ttp180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.5 -0.762 . . . . 10.0 111.515 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.232 -0.347 . . . . 10.0 112.232 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -66.68 -38.78 87.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.311 . . . . 10.0 111.263 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -30.13 63.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.827 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.79 -35.12 69.91 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.005 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -68.98 -36.09 77.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.776 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.33 -36.14 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.989 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -66.48 -48.28 70.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.011 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.81 -23.37 61.54 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.306 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -42.19 95.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.704 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.595 ' O ' HG22 ' B' ' 20' ' ' VAL . 16.0 m-85 -75.68 -34.97 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.615 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.27 -52.58 53.45 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.539 1.311 . . . . 10.0 114.539 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 11.5 m -64.43 -24.88 67.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.194 0.521 . . . . 10.0 110.866 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.47 -39.92 29.19 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 114.885 0.714 . . . . 10.0 114.885 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.595 HG22 ' O ' ' B' ' 16' ' ' PHE . 34.0 m -108.44 31.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.441 0.639 . . . . 10.0 111.8 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.18 18.66 0.83 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.951 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.439 ' O ' HG22 ' B' ' 25' ' ' THR . 13.9 t-20 -129.5 -33.83 1.85 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.536 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.651 ' O ' HG23 ' B' ' 27' ' ' VAL . 2.4 pp -68.29 -21.37 64.79 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.418 ' N ' HD12 ' B' ' 23' ' ' LEU . 56.6 tt0 -61.79 -45.17 95.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.67 0.271 . . . . 10.0 110.998 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.439 HG22 ' O ' ' B' ' 22' ' ' ASN . 14.6 t -71.92 -26.06 62.15 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.862 0.363 . . . . 10.0 110.349 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -71.38 -26.92 62.99 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.074 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 23' ' ' LEU . 60.2 t -72.74 -45.46 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 40.2 p -68.94 -26.75 65.23 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.175 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.468 ' O ' ' HD3' ' B' ' 33' ' ' LYS . 25.9 tt0 -66.77 -48.78 68.0 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.934 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.91 -24.26 63.35 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.763 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.47 -36.06 71.06 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.015 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -66.97 -40.07 87.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.506 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' B' ' 29' ' ' GLU . 6.3 mppt? -71.6 -21.88 61.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.135 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -74.65 -34.08 62.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.048 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.15 -12.07 60.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.822 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.55 8.1 29.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 44.7 mmtm -126.66 127.49 24.48 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.592 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 14.8 Cg_exo -70.85 -60.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.835 2.357 . . . . 10.0 110.479 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 63.3 m -128.69 124.26 35.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.6 OUTLIER -137.1 95.91 11.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 32.3 Cg_endo -64.47 -32.42 59.8 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.389 2.059 . . . . 10.0 111.175 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.19 -51.27 12.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.336 -0.847 . . . . 10.0 112.256 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.0 mm? -69.55 -22.97 63.51 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 tp -72.24 -32.7 66.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 10.0 110.797 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' A' ' 62' ' ' SER . . . -73.31 -37.53 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.727 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.24 -33.3 65.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.558 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -72.62 -34.17 67.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.86 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -68.3 -43.57 77.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.542 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -69.18 -38.5 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.115 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -74.19 -30.6 62.3 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.228 -0.442 . . . . 10.0 112.024 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -69.16 -38.24 78.65 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.516 ' O ' HD13 ' B' ' 56' ' ' LEU . 49.9 m -73.08 -29.2 62.77 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.411 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.498 ' HA ' HD22 ' B' ' 56' ' ' LEU . 21.9 mt-10 -63.28 -36.84 85.0 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 177.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -66.45 -36.4 82.7 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.643 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -74.14 -20.99 60.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.828 -0.623 . . . . 10.0 110.959 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.516 HD13 ' O ' ' B' ' 52' ' ' SER . 1.0 OUTLIER -67.34 -46.87 72.16 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.8 0.334 . . . . 10.0 110.39 179.788 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -41.76 61.09 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -50.6 35.92 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.897 1.073 . . . . 10.0 113.897 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -74.05 -23.93 59.46 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.917 1.08 . . . . 10.0 113.917 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.41 -38.11 63.18 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -69.31 -34.38 74.58 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 40.2 t -71.4 -36.93 71.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.268 -0.878 . . . . 10.0 110.465 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.68 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 21.4 m-20 -75.55 -35.51 60.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 10.0 112.33 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -69.91 -41.27 74.89 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.72 -19.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.359 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -77.18 -48.18 18.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.429 HG22 ' OXT' ' A' ' 80' ' ' ARG . 7.8 t -67.65 -37.92 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -65.29 -39.67 92.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.121 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' B' ' 69' ' ' LYS . 28.2 mmtp -69.31 -34.62 74.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.575 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.72 -47.93 70.81 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.817 0.303 . . . . 10.0 111.817 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.01 -35.9 66.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 121.201 0.524 . . . . 10.0 111.395 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -72.49 -32.32 66.1 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.979 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.45 -33.06 75.06 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.643 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.35 93.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.086 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.553 HG12 ' HB2' ' D' ' 62' ' ' SER . 43.4 mt -68.58 -51.12 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.373 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.47 -43.21 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.097 -0.502 . . . . 10.0 112.175 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -71.84 -18.51 62.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.956 0.408 . . . . 10.0 110.786 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.87 -27.61 62.01 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.387 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 . . . . . 0 CA--C 1.533 0.308 0 CA-C-N 116.343 -0.389 . . . . 10.0 112.006 179.19 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.064 0 CA-C-O 120.764 0.316 . . . . 10.0 111.048 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -140.41 128.69 22.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 10.0 111.579 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.26 164.56 31.51 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.957 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -65.94 -35.29 80.19 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.849 0.357 . . . . 10.0 111.405 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.03 -29.49 60.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.101 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.69 -34.93 67.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.449 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -71.62 -36.95 70.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.98 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.856 HG11 HG21 ' C' ' 64' ' ' THR . 8.2 p -74.65 -27.5 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 111.933 0.346 . . . . 10.0 111.933 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 63.6 m -69.8 -47.8 61.48 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.763 0.316 . . . . 10.0 110.693 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.56 -23.35 63.55 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.591 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -64.99 -41.16 95.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.666 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.436 ' O ' HG22 ' C' ' 20' ' ' VAL . 29.1 m-85 -77.33 -31.42 54.51 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.402 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -65.39 -42.64 92.43 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 8.4 m -76.29 -24.5 54.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.835 0.35 . . . . 10.0 111.188 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -36.08 75.65 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.956 -0.64 . . . . 10.0 112.772 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' C' ' 23' ' ' LEU . 30.6 m -111.06 30.91 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.73 0.3 . . . . 10.0 111.653 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.24 -18.73 63.91 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.883 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -108.96 -19.45 13.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.511 0.672 . . . . 10.0 109.846 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.529 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 2.9 tm? -65.87 -34.31 77.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.226 -0.897 . . . . 10.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.07 -45.73 93.55 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -68.42 -26.26 65.44 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.737 0.303 . . . . 10.0 111.633 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -71.16 -26.86 63.17 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.568 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.479 HG23 ' O ' ' C' ' 23' ' ' LEU . 16.7 t -73.2 -45.15 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.82 0.343 . . . . 10.0 110.392 179.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 34.4 p -68.17 -25.21 65.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.497 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.23 -49.31 61.57 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.019 0.437 . . . . 10.0 110.413 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.06 -25.09 65.18 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.282 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.65 -40.55 76.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.258 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.84 -32.09 73.48 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.424 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -71.58 -31.92 67.49 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.731 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.95 -24.6 43.83 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.542 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.04 -39.89 13.73 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.056 0.761 . . . . 10.0 113.056 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.93 24.55 5.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 114.193 1.183 . . . . 10.0 114.193 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.461 ' HB3' ' OD2' ' C' ' 40' ' ' ASP . 0.0 OUTLIER -104.96 122.12 44.3 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.149 178.461 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.63 -73.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.028 2.486 . . . . 10.0 112.55 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -136.81 125.04 23.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.003 0.43 . . . . 10.0 110.751 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.2 OUTLIER -135.13 98.38 12.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.031 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.9 -35.82 75.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.769 2.313 . . . . 10.0 112.679 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.28 47.28 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.7 mm? -72.46 -22.98 60.99 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 112.589 0.589 . . . . 10.0 112.589 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.76 -31.64 66.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.548 0.213 . . . . 10.0 111.416 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.8 75.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.813 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.81 63.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.335 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' C' ' 51' ' ' LEU . 45.5 t80 -71.65 -38.87 70.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.565 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -68.64 -40.41 80.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.843 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -69.04 -44.3 72.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.347 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -70.17 -30.1 67.16 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' C' ' 47' ' ' TYR . 0.5 OUTLIER -65.31 -51.78 58.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.448 179.625 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -67.36 -28.98 68.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.632 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.45 -36.47 73.72 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -69.17 -36.97 77.93 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.219 -0.9 . . . . 10.0 109.48 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -71.68 -26.34 62.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.669 -0.696 . . . . 10.0 112.385 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.479 ' HA ' HD13 ' C' ' 56' ' ' LEU . 0.9 OUTLIER -74.06 -41.22 62.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -35.93 68.73 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.986 0.422 . . . . 10.0 110.92 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.807 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -73.07 -40.61 64.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.81 -179.469 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -75.99 -24.54 55.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.957 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.89 68.61 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.772 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -70.86 -43.2 68.93 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' C' ' 66' ' ' LYS . 27.8 p -70.53 -23.09 62.57 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 63' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' C' ' 66' ' ' LYS . 31.9 m-20 -76.55 -38.75 54.53 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 64' ' ' THR . . . . . 0.856 HG21 HG11 ' C' ' 12' ' ' VAL . 4.6 m -64.4 -46.69 82.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.998 0.427 . . . . 10.0 110.039 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.613 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 22.4 m -74.69 -13.66 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.699 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 66' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' C' ' 62' ' ' SER . 0.0 OUTLIER -78.27 -49.52 13.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.899 0.381 . . . . 10.0 110.682 179.629 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.91 -42.88 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.255 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.04 -45.25 93.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.851 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' C' ' 65' ' ' VAL . 0.0 OUTLIER -68.27 -34.05 75.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.884 0.698 . . . . 10.0 112.884 -179.522 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -48.62 77.82 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.766 0.284 . . . . 10.0 111.766 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 32.5 pt -74.68 -29.75 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.659 0.266 . . . . 10.0 111.476 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 26.7 t70 -72.53 -35.05 67.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.634 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.59 -27.36 63.08 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.808 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -43.86 74.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.206 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 59.7 mt -74.73 -43.06 47.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.58 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' ILE . . . . . 0.49 HG13 ' OD1' ' D' ' 63' ' ' ASN . 1.7 tp -62.22 -33.37 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.784 -0.644 . . . . 10.0 112.195 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -84.9 -18.28 35.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.92 0.39 . . . . 10.0 110.35 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.862 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.592 0.234 . . . . 10.0 111.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.41 -24.29 64.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.53 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -68.72 -36.71 78.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.805 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.522 ' O ' HG22 ' D' ' 20' ' ' VAL . 23.1 m-85 -76.4 -36.33 58.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.284 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.23 -44.33 88.57 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.196 -0.456 . . . . 10.0 112.221 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 14.4 m -76.6 -25.99 54.51 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.83 0.348 . . . . 10.0 111.008 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.73 82.27 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.083 -0.579 . . . . 10.0 113.033 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.522 HG22 ' O ' ' D' ' 16' ' ' PHE . 35.8 m -111.68 31.73 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.952 0.406 . . . . 10.0 111.269 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.34 -21.89 66.75 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.713 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -101.35 -13.94 17.81 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.98 0.419 . . . . 10.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.429 ' O ' HG23 ' D' ' 27' ' ' VAL . 1.6 tm? -69.28 -35.32 75.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.15 -43.12 99.37 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 14.5 t -71.58 -26.49 62.63 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -72.36 -30.54 64.81 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.625 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.429 HG23 ' O ' ' D' ' 23' ' ' LEU . 64.7 t -73.41 -41.71 56.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.068 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 46.5 p -69.17 -25.65 64.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.219 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.435 ' O ' ' HD3' ' D' ' 33' ' ' LYS . 25.1 tt0 -69.32 -47.2 65.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.885 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.23 -23.74 63.92 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.314 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -68.18 -39.09 82.6 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.773 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -70.62 -39.07 73.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.138 -0.483 . . . . 10.0 112.221 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' D' ' 29' ' ' GLU . 9.4 mtpt -71.58 -36.17 70.78 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -24.4 52.67 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.56 -49.01 48.07 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.269 . . -103.89 25.38 9.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.488 1.292 . . . . 10.0 114.488 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -121.82 107.52 35.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 107.879 -1.156 . . . . 10.0 107.879 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.51 -74.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.693 2.262 . . . . 10.0 113.458 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 12.5 m -100.13 130.81 46.31 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 29.1 m-20 -132.0 105.08 13.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 113.75 1.018 . . . . 10.0 113.75 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 41.0 Cg_endo -70.04 -51.75 0.34 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 120.931 1.088 . . . . 10.0 111.644 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.28 6.8 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 113.505 0.928 . . . . 10.0 113.505 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.465 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.3 mm? -59.06 -27.28 65.37 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.594 HD13 HD11 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -82.74 -31.06 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.601 0.593 . . . . 10.0 112.601 -179.62 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.34 -35.81 80.14 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.763 0.316 . . . . 10.0 110.874 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.35 -43.41 60.75 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.947 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.77 -32.65 74.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.386 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 48' ' ' GLN . . . . . 0.417 ' OE1' HG21 ' C' ' 65' ' ' VAL . 17.5 tm0? -65.0 -52.65 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.519 -0.764 . . . . 10.0 112.782 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 46.8 m -64.96 -38.1 89.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -72.29 -26.54 62.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 114.352 1.242 . . . . 10.0 114.352 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -39.74 66.23 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.075 -0.65 . . . . 10.0 109.365 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -69.18 -28.66 66.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.72 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.43 -37.48 87.46 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -69.9 -32.01 70.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.997 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -75.75 -23.4 56.0 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.094 -0.957 . . . . 10.0 112.038 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' D' ' 56' ' ' LEU . 0.7 OUTLIER -74.02 -41.32 62.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -30.66 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 10.0 111.204 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -40.92 47.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.267 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -78.71 -40.92 32.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.605 0.594 . . . . 10.0 112.605 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.15 90.0 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.726 0.269 . . . . 10.0 111.726 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.73 -37.74 82.61 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 62' ' ' SER . . . . . 0.553 ' HB2' HG12 ' B' ' 75' ' ' ILE . 38.8 t -70.3 -28.14 64.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.353 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 63' ' ' ASN . . . . . 0.49 ' OD1' HG13 ' C' ' 76' ' ' ILE . 10.3 m120 -76.65 -37.69 55.84 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 20.0 p -63.72 -39.99 95.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.899 0.381 . . . . 10.0 110.661 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 15.2 t -77.61 -25.17 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.419 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 tptp . . . . . 0 N--CA 1.465 0.309 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.614 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 60.8 t90 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.774 0.321 . . . . 10.0 110.297 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -158.69 115.53 2.77 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.9 165.43 30.62 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 115.485 0.954 . . . . 10.0 115.485 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -39.32 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.269 -0.965 . . . . 10.0 109.583 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' B' ' 49' ' ' SER . 0.0 OUTLIER -75.57 -29.16 59.24 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.341 -0.845 . . . . 10.0 111.526 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.91 -39.14 90.3 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.607 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -74.63 -35.94 62.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.371 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.38 -41.94 89.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.618 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.8 m -67.18 -42.2 84.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.24 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -23.02 62.12 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.259 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -67.2 -43.67 81.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.878 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -73.7 -27.5 61.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.288 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -63.61 -48.44 77.33 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -71.52 -23.58 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 10.0 110.171 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.53 -40.66 90.88 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.579 -0.737 . . . . 10.0 113.295 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 m -114.91 31.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.388 . . . . 10.0 111.504 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.04 -45.46 85.33 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 25' ' ' THR . 8.5 t-20 -91.43 -14.61 30.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.402 0.62 . . . . 10.0 110.129 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.9 tm? -66.73 -38.78 87.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.354 -0.839 . . . . 10.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -63.75 -36.73 84.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 22' ' ' ASN . 12.2 t -72.99 -26.4 61.33 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.798 0.332 . . . . 10.0 111.021 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -74.35 -24.26 59.14 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.613 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 23' ' ' LEU . 58.2 t -71.24 -46.52 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.045 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.5 p -70.32 -29.04 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.419 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -70.35 -41.06 73.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.015 0.436 . . . . 10.0 110.218 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.89 -24.25 52.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.298 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -67.91 -43.65 78.74 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.611 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.81 -31.14 67.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.247 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -66.95 -38.78 86.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.266 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.89 -39.13 69.79 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.195 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.13 -19.98 59.63 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.75 -8.82 42.69 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.1 mmtm -118.67 136.45 24.16 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.752 -0.204 . . . . 10.0 110.948 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 46.8 Cg_exo -57.72 -69.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.014 2.476 . . . . 10.0 111.866 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 p -133.51 123.51 25.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.329 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -138.04 94.54 11.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.757 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 23.6 Cg_endo -63.34 -32.88 71.99 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.482 2.121 . . . . 10.0 112.58 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.39 -45.64 37.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.246 -0.434 . . . . 10.0 112.119 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.49 -22.12 61.1 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.794 0.294 . . . . 10.0 111.794 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.79 -33.5 66.3 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.543 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.03 88.84 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.34 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.15 64.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.659 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -72.38 -41.33 66.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.478 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -66.75 -33.94 76.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.37 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.9 m -76.08 -41.18 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.489 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 67.9 mmtt -74.75 -27.52 60.38 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.16 -35.14 61.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.978 0.418 . . . . 10.0 110.316 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.3 p -74.57 -29.14 61.23 Favored 'General case' 0 C--O 1.23 0.048 0 CA-C-N 115.866 -0.607 . . . . 10.0 110.406 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.62 -36.85 83.58 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.088 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -68.71 -35.48 77.22 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.729 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -65.6 -43.61 89.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.038 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.32 -28.65 65.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.585 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.53 -58.3 6.76 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.843 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -70.03 -20.39 63.26 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -74.29 -35.44 63.71 Favored 'General case' 0 C--N 1.334 -0.09 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.6 63.91 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.345 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 65' ' ' VAL . 14.7 mm-40 -69.05 -42.76 75.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.625 -0.716 . . . . 10.0 111.705 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.0 p -71.37 -28.24 63.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.048 0.388 . . . . 10.0 112.048 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.8 -37.73 62.28 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 p -69.91 -47.54 62.09 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.924 0.713 . . . . 10.0 112.924 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 1.4 m -72.86 -20.6 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -77.91 -48.47 16.26 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 111.824 0.305 . . . . 10.0 111.824 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.5 t -73.98 -42.61 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -58.98 -40.6 85.31 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 111.633 0.234 . . . . 10.0 111.633 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -72.7 -34.68 67.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.29 179.361 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.53 -41.04 98.6 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.595 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.64 HG13 ' O ' ' A' ' 67' ' ' VAL . 1.4 mt -64.59 -47.29 89.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 178.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.675 ' HA ' HD11 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -60.15 -26.98 66.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 113.898 -1.501 . . . . 10.0 113.578 -178.802 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.34 -36.44 61.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.946 0.403 . . . . 10.0 110.238 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -45.01 69.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.696 -0.684 . . . . 10.0 112.09 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.675 HD11 ' HA ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -60.05 -43.95 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 -178.507 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.6 HG12 ' O ' ' A' ' 72' ' ' ASP . 12.4 pt -74.02 -24.32 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -69.41 -23.83 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -74.58 -35.92 63.02 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 115.366 -0.833 . . . . 10.0 109.578 177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.792 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 3.5 m-85 -71.73 129.78 39.52 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 107.649 -1.241 . . . . 10.0 107.649 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.629 ' O ' ' HA ' ' B' ' 63' ' ' ASN . 7.8 tpt180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.01 -0.995 . . . . 10.0 112.176 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 120.794 0.108 . . . . 10.0 113.05 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.444 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.8 OUTLIER -66.77 -45.55 78.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.693 0.282 . . . . 10.0 111.273 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -21.79 59.22 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.651 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.88 -40.12 94.62 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.666 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.82 -36.4 62.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.646 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 8' ' ' TYR . 99.2 t -62.74 -46.53 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.176 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -66.14 -37.95 86.93 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.397 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.92 -22.93 62.18 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.576 ' HD3' ' HA ' ' D' ' 32' ' ' ASP . 0.3 OUTLIER -69.44 -43.53 73.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.415 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -71.96 -27.76 62.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.075 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.26 -52.91 62.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.452 -0.795 . . . . 10.0 112.288 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -71.86 -22.1 61.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.45 -51.01 60.66 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 114.807 -1.088 . . . . 10.0 114.645 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.693 HG12 HD21 ' B' ' 23' ' ' LEU . 30.9 m -112.35 26.09 3.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.938 0.399 . . . . 10.0 110.918 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.24 -28.96 70.09 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.899 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.495 ' O ' HG22 ' B' ' 25' ' ' THR . 8.8 t-20 -100.51 -31.97 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.693 HD21 HG12 ' B' ' 20' ' ' VAL 0.282 2.8 pp -70.61 -21.7 62.62 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -62.4 -41.32 98.57 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.676 0.274 . . . . 10.0 110.842 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.495 HG22 ' O ' ' B' ' 22' ' ' ASN . 9.4 t -73.67 -26.08 60.56 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.982 0.42 . . . . 10.0 110.015 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -72.44 -24.47 61.22 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.442 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 23' ' ' LEU . 98.2 t -72.58 -45.69 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.3 p -69.37 -27.15 65.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.734 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -74.51 -39.01 62.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.075 -0.511 . . . . 10.0 109.807 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.95 -24.26 52.37 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.122 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -68.63 -44.15 74.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.021 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.7 -30.93 67.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.676 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -65.6 -39.68 91.84 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.637 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.58 -39.12 74.05 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.01 -16.03 60.03 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.629 0.603 . . . . 10.0 112.629 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.34 -20.07 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.181 0.437 . . . . 10.0 112.181 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -110.24 143.83 28.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.933 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.09 -69.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.725 2.283 . . . . 10.0 111.106 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.1 p -135.16 124.47 24.68 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' HB2' ' B' ' 43' ' ' LEU . 0.8 OUTLIER -136.84 95.98 11.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 111.973 0.361 . . . . 10.0 111.973 -178.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 28.6 Cg_endo -63.74 -30.98 69.42 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.687 2.258 . . . . 10.0 112.188 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.11 -49.31 29.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.964 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.436 ' HB2' ' OD2' ' B' ' 40' ' ' ASP . 3.5 mm? -72.98 -21.81 60.79 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.068 0.396 . . . . 10.0 112.068 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.45 -35.3 65.72 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.709 0.29 . . . . 10.0 110.25 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.86 -36.42 82.27 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.0 -34.07 64.04 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.417 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -72.09 -38.22 69.41 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.05 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -66.48 -37.1 84.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.17 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.475 ' HB3' HD21 ' A' ' 9' ' ' LEU . 49.7 m -74.03 -38.5 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.359 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' B' ' 50' ' ' LYS . 68.6 mmtt -75.92 -33.87 59.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.932 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 tp -68.63 -36.51 78.71 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 95.0 p -73.71 -28.19 61.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.407 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.51 -35.23 78.72 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.854 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -66.53 -33.7 76.26 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.469 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 49.5 t30 -70.02 -28.5 65.54 Favored 'General case' 0 C--O 1.228 -0.076 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.306 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.521 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -72.2 -31.49 65.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.143 -0.935 . . . . 10.0 110.591 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -70.91 -56.11 6.95 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.591 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -67.59 -25.27 65.69 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 113.166 0.802 . . . . 10.0 113.166 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 1.4 m-80 -75.54 -50.94 14.12 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.797 0.295 . . . . 10.0 111.797 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.88 73.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.644 0.259 . . . . 10.0 110.547 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -65.84 -42.46 90.49 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.581 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 15.9 t -70.92 -33.21 70.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.657 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.792 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 82.3 m-20 -73.45 -41.23 63.47 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 39.6 p -68.85 -48.66 62.92 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.81 -31.49 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -67.11 -48.27 68.65 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.54 0.57 . . . . 10.0 112.54 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.542 ' O ' HG12 ' B' ' 71' ' ' ILE . 20.4 t -66.85 -44.39 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -59.74 -44.21 93.88 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -71.41 -36.14 71.25 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.3 -44.07 84.51 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.929 0.395 . . . . 10.0 110.97 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.542 HG12 ' O ' ' B' ' 67' ' ' VAL . 8.6 mm -66.06 -43.83 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ASP . . . . . 0.453 ' O ' HG13 ' B' ' 76' ' ' ILE . 1.3 t70 -64.74 -31.65 72.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.754 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.78 -30.89 68.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.222 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.74 -40.67 76.04 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 42.8 pt -69.69 -31.45 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 72' ' ' ASP . 66.3 mt -71.2 -33.67 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 10.0 110.027 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -70.59 -25.64 63.16 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.405 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -73.76 -30.55 62.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.172 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.052 178.855 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 47.7 t90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.012 0.434 . . . . 10.0 110.628 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 22.7 p -159.7 117.0 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.355 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.79 169.85 20.49 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.647 -0.787 . . . . 10.0 113.083 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -34.41 77.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.096 0.474 . . . . 10.0 110.48 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.62 HD11 HG12 ' C' ' 65' ' ' VAL . 21.5 tp -71.97 -33.62 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.759 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.89 -39.14 93.07 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.39 -40.09 67.51 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.415 0.524 . . . . 10.0 112.415 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.974 HG11 HG21 ' C' ' 64' ' ' THR . 65.2 t -67.29 -43.14 88.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -63.32 -44.5 94.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.578 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.66 -22.95 62.43 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.392 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -64.88 -42.65 94.62 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.889 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.509 ' HB3' ' HE1' ' C' ' 57' ' ' TYR . 57.9 m-85 -77.59 -28.45 51.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.796 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -64.91 -39.79 94.07 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -76.86 -25.5 53.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.931 0.396 . . . . 10.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.44 -36.39 62.93 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 121.02 -0.61 . . . . 10.0 112.653 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.438 HG22 ' O ' ' C' ' 16' ' ' PHE . 34.2 m -109.37 25.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.66 0.267 . . . . 10.0 111.593 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.36 -45.67 93.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.252 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ASN . . . . . 0.463 ' O ' HG22 ' C' ' 25' ' ' THR . 6.4 t-20 -95.04 -10.66 30.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.203 0.525 . . . . 10.0 110.55 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.415 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.1 tm? -69.26 -38.52 78.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.547 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -65.17 -35.44 81.09 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.463 HG22 ' O ' ' C' ' 22' ' ' ASN . 6.7 t -73.15 -26.7 61.3 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.044 -0.262 . . . . 10.0 111.001 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -76.38 -24.3 54.11 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.273 -0.422 . . . . 10.0 109.87 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 23' ' ' LEU . 40.4 t -68.82 -45.33 81.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.345 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -73.97 -28.02 61.28 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.214 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.22 -42.63 75.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.196 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.07 51.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.478 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 26.3 tp -66.65 -46.71 74.88 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.803 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.11 -30.66 66.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.175 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -59.73 -48.1 83.02 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.677 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -75.76 -34.81 60.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.503 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.4 -33.98 75.83 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.011 0.745 . . . . 10.0 113.011 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.35 20.97 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -127.4 129.88 23.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.366 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -46.73 -72.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.728 2.952 . . . . 10.0 113.077 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 18.0 p -149.5 125.06 10.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.679 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.436 ' OD1' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -137.45 100.98 9.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.516 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 41' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 24.1 Cg_endo -63.69 -30.85 69.82 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.287 1.991 . . . . 10.0 112.27 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.31 -46.61 32.35 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.143 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.436 ' HB2' ' OD1' ' C' ' 40' ' ' ASP . 3.4 mm? -72.67 -22.34 60.93 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 46.9 tp -71.5 -33.45 69.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.86 0.362 . . . . 10.0 110.585 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.68 78.55 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.363 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.25 64.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.999 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -72.11 -40.46 68.12 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.24 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -67.64 -36.5 80.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.252 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -73.34 -39.09 65.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.505 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 63.0 mmtt -74.23 -29.01 61.51 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tp -74.46 -34.5 63.16 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.67 0.272 . . . . 10.0 111.21 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -74.99 -29.53 60.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.508 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.37 -36.52 83.99 Favored 'General case' 0 C--O 1.231 0.085 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -70.07 -34.13 72.81 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.353 -0.84 . . . . 10.0 110.032 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -66.15 -51.74 54.95 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' C' ' 56' ' ' LEU . 2.3 mm? -68.19 -28.81 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 57' ' ' TYR . . . . . 0.509 ' HE1' ' HB3' ' C' ' 16' ' ' PHE . 1.2 t80 -67.37 -48.89 66.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.071 0.462 . . . . 10.0 110.579 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.813 ' HE ' ' HA ' ' D' ' 42' ' ' ALA . 3.9 mmt-85 -65.31 -38.61 90.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.945 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -69.11 -28.06 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.764 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.0 -33.98 68.51 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.916 0.388 . . . . 10.0 110.006 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.48 ' O ' HG13 ' C' ' 65' ' ' VAL . 14.7 mm-40 -67.19 -44.73 78.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.004 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 62' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' C' ' 66' ' ' LYS . 32.4 p -70.96 -26.77 63.31 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -72.19 -45.86 58.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.595 -0.275 . . . . 10.0 111.651 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' THR . . . . . 0.974 HG21 HG11 ' C' ' 12' ' ' VAL . 2.1 m -67.37 -45.92 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.084 0.401 . . . . 10.0 112.084 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.62 HG12 HD11 ' C' ' 9' ' ' LEU . 8.9 m -65.46 -28.85 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 66' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' C' ' 62' ' ' SER . 8.6 tmtt? -82.76 -38.35 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.786 0.291 . . . . 10.0 111.786 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 67' ' ' VAL . . . . . 0.489 ' O ' HG13 ' C' ' 71' ' ' ILE . 72.4 t -70.83 -51.95 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -63.57 -38.39 90.94 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.034 0.753 . . . . 10.0 113.034 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.464 ' HA ' ' HD2' ' C' ' 69' ' ' LYS . 4.7 mmmm -70.62 -34.71 72.4 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.739 -0.385 . . . . 10.0 111.698 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -34.01 77.16 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.892 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 71' ' ' ILE . . . . . 0.489 HG13 ' O ' ' C' ' 67' ' ' VAL . 64.1 mt -69.75 -44.38 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.075 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 72' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 3.2 m-20 -64.77 -27.79 69.13 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.618 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.4 68.97 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.776 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.9 -44.13 61.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.441 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.412 HG13 ' O ' ' C' ' 71' ' ' ILE . 13.8 mt -66.86 -38.35 81.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.009 0.433 . . . . 10.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 76' ' ' ILE . . . . . 0.454 HG13 ' ND2' ' D' ' 63' ' ' ASN . 1.5 tp -66.69 -33.75 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.126 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -75.74 -23.89 56.08 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.288 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 . . . . . 0 C--O 1.233 0.194 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 177.886 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.544 0.211 . . . . 10.0 111.373 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.4 65.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.548 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -39.22 78.19 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.48 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.423 ' O ' HG22 ' D' ' 20' ' ' VAL . 37.4 m-85 -76.41 -28.83 56.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.27 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -64.93 -45.31 86.34 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.429 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 5.5 m -78.47 -26.04 45.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.349 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.18 -38.67 95.49 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 121.106 -0.569 . . . . 10.0 113.048 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.423 HG22 ' O ' ' D' ' 16' ' ' PHE . 31.0 m -118.99 32.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.963 0.411 . . . . 10.0 111.247 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.09 -45.08 95.1 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.915 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -82.14 -13.6 56.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.419 . . . . 10.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.465 ' O ' HG23 ' D' ' 27' ' ' VAL . 2.6 tt -70.88 -27.49 63.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -61.38 -47.19 86.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.229 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -72.12 -26.01 61.95 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.658 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -71.81 -30.29 65.35 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.409 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.465 HG23 ' O ' ' D' ' 23' ' ' LEU . 90.0 t -72.66 -44.11 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.546 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 37.4 p -70.53 -27.37 64.11 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.442 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -71.06 -42.11 69.87 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.973 0.416 . . . . 10.0 110.33 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.94 -23.89 58.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.821 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.429 HD21 HG22 ' B' ' 12' ' ' VAL . 51.8 tp -70.78 -38.57 73.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.154 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ASP . . . . . 0.576 ' HA ' ' HD3' ' B' ' 15' ' ' LYS . 0.8 OUTLIER -70.52 -41.83 72.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.381 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -24.67 61.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.439 0.533 . . . . 10.0 112.439 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.66 -53.05 14.84 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.549 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' ALA . . . . . 0.416 ' HB3' ' HG2' ' B' ' 15' ' ' LYS . . . -75.61 -12.68 60.26 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.359 . . -98.35 8.72 44.46 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -136.62 108.3 9.26 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 114.15 -1.386 . . . . 10.0 107.364 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.502 ' O ' HD12 ' B' ' 56' ' ' LEU . 97.5 Cg_exo -48.11 -74.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.155 2.57 . . . . 10.0 114.02 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -99.88 121.83 41.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' D' ' 41' ' ' PRO . 7.9 p-10 -142.1 89.29 8.79 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 115.471 1.656 . . . . 10.0 115.471 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' D' ' 40' ' ' ASP . 17.8 Cg_endo -64.75 -45.28 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.817 1.678 . . . . 10.0 111.966 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.813 ' HA ' ' HE ' ' C' ' 58' ' ' ARG . . . -74.53 -51.05 15.78 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.36 -25.68 68.4 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -30.94 65.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.29 -39.54 64.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.912 0.387 . . . . 10.0 110.589 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.59 -35.87 68.02 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.39 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 47' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 31.1 t80 -65.43 -44.96 85.7 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -68.53 -35.79 77.94 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 60.6 m -76.07 -41.44 50.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -77.83 -28.92 50.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 4.6 tp -72.2 -37.0 69.36 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.868 0.366 . . . . 10.0 110.303 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 83.7 p -73.87 -29.56 62.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.408 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -65.84 -37.09 85.29 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -69.23 -34.39 74.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.337 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -63.94 -49.44 72.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.923 -1.035 . . . . 10.0 111.826 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.0 mm? -68.42 -27.1 65.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.07 0.767 . . . . 10.0 113.07 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.65 -49.22 74.09 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.641 0.258 . . . . 10.0 111.587 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -70.53 -30.83 67.68 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -73.95 -37.0 64.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 10.0 111.114 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.68 -29.62 63.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.77 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -70.03 -39.33 75.84 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.175 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 32.7 p -71.59 -27.61 63.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.029 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 63' ' ' ASN . . . . . 0.454 ' ND2' HG13 ' C' ' 76' ' ' ILE . 94.8 m-20 -75.83 -37.44 59.04 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 7.9 p -69.14 -42.09 76.45 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 12.9 p -77.06 -22.08 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 29.9 tptp . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 111.985 0.365 . . . . 10.0 111.985 -179.521 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 121.024 0.44 . . . . 10.0 111.588 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -154.74 152.11 29.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.198 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.03 -175.22 36.94 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.813 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.6 t80 -67.89 -40.48 83.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.429 -0.385 . . . . 10.0 110.599 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.828 HD11 HG12 ' A' ' 65' ' ' VAL . 16.1 tp -71.15 -33.86 70.44 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.453 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -71.93 -27.85 63.08 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.429 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.84 -40.59 68.94 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.87 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 8' ' ' TYR . 41.2 t -69.06 -36.15 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.016 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.3 t -66.45 -46.42 76.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.545 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.51 61.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.245 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -62.32 -46.84 86.92 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.033 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.581 ' O ' HG22 ' A' ' 20' ' ' VAL . 43.8 m-85 -72.23 -32.51 66.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.134 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -65.57 -51.32 60.65 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -69.89 -23.34 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.245 0.545 . . . . 10.0 109.748 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' C' ' 35' ' ' ALA . . . -71.59 -43.31 52.88 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.431 -0.804 . . . . 10.0 112.527 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 34.3 m -106.04 31.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.767 0.318 . . . . 10.0 111.429 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.02 -50.53 73.37 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.262 -0.427 . . . . 10.0 111.189 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -81.68 -15.79 53.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.194 0.521 . . . . 10.0 110.501 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.652 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.0 tm? -71.26 -39.99 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.314 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.12 -39.28 94.24 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.136 -0.484 . . . . 10.0 112.104 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 14.0 t -71.83 -25.8 62.12 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.576 -0.283 . . . . 10.0 111.19 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -73.58 -28.05 61.63 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.965 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 23' ' ' LEU . 39.6 t -69.93 -45.5 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-O 120.974 0.416 . . . . 10.0 110.04 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.6 p -73.95 -29.67 62.13 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.627 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 25' ' ' THR . 2.0 tm-20 -67.84 -41.88 82.26 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.032 0.444 . . . . 10.0 110.152 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.14 -23.82 54.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.888 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 tp -70.84 -40.55 72.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.412 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -70.27 -31.37 68.7 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.648 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 81.5 mttt -68.38 -44.32 75.38 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.967 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -25.82 68.2 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.88 -18.36 63.41 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.3 6.3 10.7 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.906 0.336 . . . . 10.0 111.906 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 45.2 mmtm -113.41 119.81 41.13 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-N 116.695 -0.23 . . . . 10.0 111.567 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 17.0 Cg_exo -68.84 -66.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.935 2.424 . . . . 10.0 111.14 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 p -120.86 125.2 46.91 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.899 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -136.89 97.45 11.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 112.753 0.649 . . . . 10.0 112.753 -178.801 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 31.3 Cg_endo -65.65 -43.63 9.73 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.578 2.185 . . . . 10.0 112.165 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.24 -39.79 53.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.155 -0.475 . . . . 10.0 112.055 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.899 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.2 mm? -71.74 -20.37 61.9 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -71.1 -41.04 71.13 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.014 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.12 -30.88 68.18 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.476 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.8 -45.0 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.986 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -71.8 -36.25 70.23 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 111.821 0.304 . . . . 10.0 111.821 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -40.84 97.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.5 t -75.04 -41.39 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.401 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -69.09 -34.78 75.65 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.588 0.588 . . . . 10.0 112.588 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.03 -35.59 61.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.825 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.8 p -72.21 -32.33 66.66 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.913 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.48 -36.15 78.53 Favored 'General case' 0 C--N 1.333 -0.118 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -64.69 -31.01 72.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.341 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -66.31 -43.51 86.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.185 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 56' ' ' LEU . 3.1 mm? -72.05 -28.77 63.56 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.396 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.01 -50.98 66.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.806 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -68.36 -30.64 69.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.384 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.87 -32.02 65.12 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.351 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.92 -37.63 70.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.807 0.336 . . . . 10.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -72.95 -39.7 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.394 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.4 p -71.24 -30.53 66.44 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -75.02 -35.51 61.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.087 0.403 . . . . 10.0 112.087 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 p -70.12 -38.67 75.65 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.828 HG12 HD11 ' A' ' 9' ' ' LEU . 28.6 m -75.8 -22.15 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.732 0.301 . . . . 10.0 111.038 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.649 ' HE2' ' HA ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -75.48 -48.3 23.27 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -179.385 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.61 -36.36 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -67.54 -34.25 76.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.455 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 16.2 mmmt -74.3 -34.81 63.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.616 0.599 . . . . 10.0 112.616 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -60.74 -49.12 78.79 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 123.187 0.305 . . . . 10.0 110.85 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.725 HD11 HH11 ' C' ' 58' ' ' ARG . 0.1 OUTLIER -61.39 -36.95 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.614 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.752 ' HA ' HD12 ' A' ' 75' ' ' ILE . 6.2 t70 -67.64 -25.74 65.88 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.07 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.052 0.453 . . . . 10.0 109.869 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.7 64.27 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.545 0.688 . . . . 10.0 109.439 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 72' ' ' ASP . 1.6 mt -57.97 -55.83 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 114.331 -1.304 . . . . 10.0 111.915 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.688 HG13 ' O ' ' A' ' 72' ' ' ASP 0.254 2.0 pp -76.38 -14.67 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 114.339 1.237 . . . . 10.0 114.339 -178.741 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -36.27 75.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.812 0.671 . . . . 10.0 112.812 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -92.99 -17.65 23.65 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.089 0.471 . . . . 10.0 110.989 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.756 ' HE1' ' CD2' ' D' ' 47' ' ' TYR . 0.6 OUTLIER -76.94 154.48 33.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.981 179.538 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.798 ' HD3' HD21 ' D' ' 51' ' ' LEU . 2.9 ttt180 . . . . . 0 N--CA 1.443 -0.808 0 CA-C-O 117.592 -1.194 . . . . 10.0 109.075 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.304 -0.319 . . . . 10.0 112.304 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.421 ' O ' HG23 ' B' ' 12' ' ' VAL . 22.7 t80 -67.21 -44.55 79.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.593 0.235 . . . . 10.0 111.259 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -31.05 67.84 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.951 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -72.24 -28.56 63.23 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.618 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.55 -43.76 65.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.796 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.921 HG11 HG21 ' B' ' 64' ' ' THR . 12.0 t -68.75 -32.11 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.765 0.317 . . . . 10.0 111.192 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.0 t -66.93 -45.51 77.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.325 -0.398 . . . . 10.0 109.989 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.19 -22.11 60.53 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.808 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -62.39 -44.79 95.61 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.918 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.544 ' O ' HG22 ' B' ' 20' ' ' VAL . 33.7 m-85 -75.8 -32.23 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.025 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.0 -51.73 55.75 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 10.0 m -68.36 -23.27 64.66 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.596 -0.891 . . . . 10.0 108.596 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.21 -51.17 23.85 Favored Glycine 0 N--CA 1.438 -1.178 0 CA-C-N 114.789 -1.096 . . . . 10.0 112.408 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.641 ' HB ' ' HB3' ' B' ' 23' ' ' LEU . 35.7 m -97.17 31.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 10.0 111.783 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.78 -49.2 78.46 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.032 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -83.84 -15.97 46.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.171 0.51 . . . . 10.0 110.478 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.641 ' HB3' ' HB ' ' B' ' 20' ' ' VAL . 1.8 tm? -71.64 -40.05 69.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.621 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -60.72 -40.54 92.72 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.944 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' B' ' 29' ' ' GLU . 15.4 t -73.19 -25.75 60.9 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.325 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -73.26 -28.05 61.91 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.209 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 23' ' ' LEU . 44.7 t -72.18 -44.97 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.882 0.372 . . . . 10.0 110.168 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.9 p -72.45 -28.75 63.13 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.103 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 25' ' ' THR . 2.0 tm-20 -68.87 -40.84 79.06 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.04 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.35 -24.14 54.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.859 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 38.9 tp -72.28 -40.63 67.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.526 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -70.14 -31.29 68.73 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.53 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 78.5 mttt -69.32 -38.96 78.46 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.765 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -26.22 66.79 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.18 -0.464 . . . . 10.0 112.076 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.42 -12.27 60.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.405 -0.362 . . . . 10.0 111.381 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.32 6.2 11.18 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.59 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 44.8 mmtm -118.67 121.06 31.11 Favored Pre-proline 0 C--N 1.332 -0.184 0 N-CA-C 111.721 0.267 . . . . 10.0 111.721 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 17.0 Cg_exo -69.49 -53.63 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.901 2.401 . . . . 10.0 110.992 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 36.5 p -135.11 124.58 24.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.363 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.787 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -137.24 96.96 10.93 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -179.164 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 30.9 Cg_endo -65.32 -41.33 16.26 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.606 2.204 . . . . 10.0 112.229 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.74 -41.49 53.15 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.057 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.787 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.7 mm? -71.8 -20.59 61.83 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.877 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' B' ' 40' ' ' ASP . 1.5 tt -72.63 -40.35 66.5 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.08 -31.27 65.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.445 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.44 62.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.664 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -70.83 -33.74 70.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.069 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -40.41 95.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.809 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 42.3 t -76.01 -38.91 56.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -70.71 -39.42 73.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.0 tp -72.29 -32.41 66.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.03 0.443 . . . . 10.0 110.304 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 59.7 p -74.43 -29.23 61.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.301 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.679 ' HA ' HD23 ' B' ' 56' ' ' LEU . 51.3 mt-10 -72.3 -35.02 68.57 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 177.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.14 -30.01 70.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.584 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.65 -45.19 83.9 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.307 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' B' ' 53' ' ' GLU . 0.6 OUTLIER -69.72 -28.83 66.15 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.874 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.3 -52.65 61.08 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.59 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -25.64 64.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.012 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.488 ' HB3' HD13 ' A' ' 76' ' ' ILE . 1.2 m-80 -77.34 -30.68 54.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.998 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.67 -52.2 27.82 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -59.01 -43.87 91.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.292 -0.867 . . . . 10.0 111.858 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 88.3 p -63.97 -43.88 94.44 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.521 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 13.6 m-80 -71.08 -33.39 70.17 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.295 0.48 . . . . 10.0 112.295 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.921 HG21 HG11 ' B' ' 12' ' ' VAL . 16.9 m -65.91 -50.33 64.81 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.835 0.35 . . . . 10.0 111.281 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 m -73.15 -14.08 16.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' B' ' 66' ' ' LYS . 18.7 tptp -75.21 -51.28 13.71 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.661 ' HB ' ' HD2' ' A' ' 80' ' ' ARG 0.264 96.6 t -81.63 -28.15 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 113.433 0.901 . . . . 10.0 113.433 -179.307 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -70.02 -36.86 75.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.63 0.252 . . . . 10.0 110.655 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.848 ' HE2' ' HA ' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -73.03 -35.2 66.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.536 179.258 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -64.71 -48.73 73.58 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.964 0.411 . . . . 10.0 111.037 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.548 ' O ' HG13 ' B' ' 75' ' ' ILE . 10.7 tp -65.73 -30.56 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.353 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ASP . . . . . 0.664 ' HA ' HD12 ' B' ' 75' ' ' ILE . 32.9 t70 -72.5 -29.5 63.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.636 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.02 95.34 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.0 -32.24 73.34 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.873 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' B' ' 72' ' ' ASP . 59.2 mt -60.7 -49.58 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.099 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.413 HG13 ' H ' ' B' ' 76' ' ' ILE . 3.5 mt -64.43 -27.03 41.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.869 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.63 -35.99 79.96 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -98.93 0.72 44.63 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.947 0.403 . . . . 10.0 111.633 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.548 -179.577 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.795 0.331 . . . . 10.0 110.731 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -144.09 152.81 41.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.003 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.93 -177.64 43.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.657 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.87 -39.21 87.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.836 0.351 . . . . 10.0 110.671 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.85 -32.61 71.08 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.324 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.02 -29.47 65.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.015 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.19 -37.52 69.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.317 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 29.3 t -70.31 -39.29 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.422 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -65.18 -45.42 84.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.514 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.21 -22.62 61.99 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.166 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -61.78 -45.02 95.69 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.632 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.587 ' O ' HG22 ' C' ' 20' ' ' VAL . 59.5 m-85 -77.1 -32.82 56.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.71 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -64.2 -44.16 92.83 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -76.18 -26.3 56.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.893 0.377 . . . . 10.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.82 -40.03 64.7 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.047 -0.596 . . . . 10.0 112.554 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.587 HG22 ' O ' ' C' ' 16' ' ' PHE . 33.8 m -105.22 30.65 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-O 120.791 0.329 . . . . 10.0 111.557 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.84 -54.34 46.28 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.026 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ASN . . . . . 0.497 ' O ' HG22 ' C' ' 25' ' ' THR . 7.5 t-20 -82.4 -15.62 52.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.275 0.559 . . . . 10.0 110.402 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.514 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.2 tm? -70.72 -40.44 72.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.228 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.31 -36.05 82.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.814 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.497 HG22 ' O ' ' C' ' 22' ' ' ASN . 5.5 t -71.48 -25.96 62.5 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.119 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -75.39 -26.19 58.25 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.617 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.437 HG23 ' O ' ' C' ' 23' ' ' LEU . 76.1 t -68.87 -44.66 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.111 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.851 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 36.9 p -77.28 -27.25 53.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.564 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' C' ' 25' ' ' THR . 1.3 tm-20 -67.85 -43.4 79.59 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.935 0.398 . . . . 10.0 110.441 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.3 -24.06 50.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.434 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 22.4 tp -70.64 -40.59 72.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.126 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.83 -30.7 67.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.827 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' C' ' 37' ' ' LYS . 81.4 mttt -68.36 -48.72 64.04 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.789 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -25.35 67.2 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.028 -0.533 . . . . 10.0 112.258 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HA3' ' A' ' 19' ' ' GLY . . . -57.93 -31.32 66.71 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.24 24.82 5.89 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 113.416 0.895 . . . . 10.0 113.416 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' C' ' 33' ' ' LYS . 35.9 mmtm -114.97 111.95 44.93 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.115 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' C' ' 37' ' ' LYS . 18.9 Cg_endo -60.05 -68.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.778 2.319 . . . . 10.0 112.659 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 37.1 p -128.14 124.52 37.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.331 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.4 OUTLIER -137.19 98.86 10.09 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.882 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 41' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 29.6 Cg_endo -65.34 -38.67 25.53 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.628 2.219 . . . . 10.0 112.306 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.03 -41.93 49.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.924 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.2 mm? -72.46 -20.64 61.36 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' C' ' 40' ' ' ASP . 0.6 OUTLIER -68.82 -39.4 80.04 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.678 0.275 . . . . 10.0 110.479 179.224 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.03 -30.64 62.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.458 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.24 -42.55 65.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.056 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -71.41 -34.92 70.77 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.183 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -66.06 -39.93 90.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.86 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.3 t -74.64 -39.15 62.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.55 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' C' ' 50' ' ' LYS . 23.5 mmtm -69.84 -35.85 75.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 tp -75.32 -34.39 61.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.257 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 91.3 p -75.32 -29.9 60.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.036 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.76 -35.87 79.49 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 107.893 -1.151 . . . . 10.0 107.893 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -66.37 -26.66 67.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 114.322 -1.308 . . . . 10.0 108.949 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -65.1 -50.13 67.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.922 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.92 -26.62 60.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -59.79 -54.11 50.06 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.725 HH11 HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -69.68 -33.58 72.75 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 111.777 0.288 . . . . 10.0 111.777 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -67.39 -31.78 72.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.04 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.63 -33.15 58.37 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.887 0.375 . . . . 10.0 110.689 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.651 ' O ' HG23 ' C' ' 65' ' ' VAL . 46.8 tt0 -71.11 -50.0 38.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.994 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 95.3 p -64.23 -28.31 69.65 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.575 0.226 . . . . 10.0 111.154 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -69.24 -44.19 72.48 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.535 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 20.9 p -66.03 -37.15 85.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 10.0 112.011 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.651 HG23 ' O ' ' C' ' 61' ' ' GLN . 3.1 t -65.97 -42.64 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.915 0.388 . . . . 10.0 110.088 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 66' ' ' LYS . . . . . 0.636 ' HA ' ' HE2' ' C' ' 66' ' ' LYS . 0.3 OUTLIER -67.17 -47.69 70.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.974 0.731 . . . . 10.0 112.974 -178.613 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.44 -48.9 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 113.672 0.99 . . . . 10.0 113.672 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -65.47 -32.37 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 25.9 mmmt -73.36 -34.08 65.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.519 0.562 . . . . 10.0 112.519 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.67 -48.84 78.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.754 0.312 . . . . 10.0 111.274 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' ILE . . . . . 0.418 ' O ' HG13 ' C' ' 75' ' ' ILE . 13.9 tt -68.0 -33.56 61.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.578 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 72' ' ' ASP . . . . . 0.441 ' O ' HG12 ' C' ' 76' ' ' ILE . 29.3 t70 -67.2 -32.14 73.01 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.013 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.5 96.95 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.294 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.23 68.67 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.676 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.418 HG13 ' O ' ' C' ' 71' ' ' ILE . 84.1 mt -61.83 -49.46 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.341 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 76' ' ' ILE . . . . . 0.441 HG12 ' O ' ' C' ' 72' ' ' ASP . 31.9 mm -70.49 -21.8 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.613 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -65.18 -39.43 92.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.013 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.89 178.75 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 37.3 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.736 0.303 . . . . 10.0 110.73 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.81 61.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.493 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -64.56 -39.63 94.09 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.773 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.531 ' O ' HG22 ' D' ' 20' ' ' VAL . 47.4 m-85 -77.28 -37.86 51.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.691 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -64.92 -44.62 88.91 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -79.12 -28.87 42.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.349 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.33 -41.78 96.43 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.027 -0.606 . . . . 10.0 112.827 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.531 HG22 ' O ' ' D' ' 16' ' ' PHE . 34.3 m -112.72 33.72 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.019 0.438 . . . . 10.0 111.391 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.64 -43.04 89.6 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.379 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -79.45 -18.44 52.12 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.73 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.474 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.3 OUTLIER -71.22 -34.58 70.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.319 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -65.31 -41.24 94.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.167 -0.469 . . . . 10.0 112.027 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' D' ' 29' ' ' GLU . 15.4 t -72.42 -25.56 61.52 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.389 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -71.46 -30.65 66.25 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.16 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.474 HG23 ' O ' ' D' ' 23' ' ' LEU . 47.4 t -72.76 -41.25 61.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.443 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 35.7 p -74.09 -26.63 60.47 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.964 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' D' ' 25' ' ' THR . 2.1 tm-20 -72.29 -39.8 68.04 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.11 -23.9 59.38 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.262 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.23 -43.66 86.0 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.59 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.91 -31.82 68.57 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.375 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -69.27 -44.09 72.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.087 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -25.77 66.87 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.762 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.93 -40.12 66.46 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 113.052 0.76 . . . . 10.0 113.052 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.24 25.97 7.58 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.378 0.881 . . . . 10.0 113.378 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.15 103.2 52.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.155 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.06 -73.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.829 2.353 . . . . 10.0 112.734 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -85.04 141.04 30.56 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.745 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 27.5 m-20 -135.26 72.71 65.61 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 115.722 1.749 . . . . 10.0 115.722 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.38 -51.37 0.34 Allowed 'Trans proline' 0 CA--C 1.518 -0.292 0 C-N-CA 121.428 1.419 . . . . 10.0 111.334 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.32 -41.47 22.02 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.426 -1.261 . . . . 10.0 110.98 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.23 -19.62 65.88 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 115.183 -0.917 . . . . 10.0 112.928 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.745 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.7 OUTLIER -72.42 -49.57 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.48 -33.34 63.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.74 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.06 -53.6 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.16 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 47' ' ' TYR . . . . . 0.756 ' CD2' ' HE1' ' A' ' 79' ' ' PHE . 5.6 t80 -72.43 -43.76 63.37 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.762 1.023 . . . . 10.0 113.762 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 48' ' ' GLN . . . . . 0.61 ' HB2' HD13 ' D' ' 44' ' ' LEU . 0.9 OUTLIER -60.34 -44.31 95.65 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.852 0.316 . . . . 10.0 111.852 -179.292 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 38.2 t -67.74 -48.78 65.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 50' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 27.8 mmtm -68.15 -28.91 67.71 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.798 HD21 ' HD3' ' A' ' 80' ' ' ARG . 5.9 tt -75.11 -43.21 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.322 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 79.8 p -69.36 -29.67 67.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.931 0.396 . . . . 10.0 110.157 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.84 -35.87 77.47 Favored 'General case' 0 CA--C 1.523 -0.063 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 54' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' D' ' 51' ' ' LEU . 50.8 t80 -60.26 -33.64 72.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.21 -0.904 . . . . 10.0 109.465 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.88 -50.95 68.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.056 -0.975 . . . . 10.0 110.956 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.0 mm? -73.83 -26.44 60.6 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -59.92 -49.99 75.51 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.714 0.293 . . . . 10.0 111.4 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 58' ' ' ARG . . . . . 0.464 ' CZ ' HG12 ' B' ' 75' ' ' ILE . 0.1 OUTLIER -71.07 -32.85 69.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.119 -179.479 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 59' ' ' ASN . . . . . 0.419 ' OD1' HD11 ' B' ' 71' ' ' ILE . 94.5 m-20 -69.55 -27.88 65.52 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.656 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.24 -41.78 66.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.642 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 61' ' ' GLN . . . . . 0.608 ' O ' HG23 ' D' ' 65' ' ' VAL . 38.6 tt0 -73.26 -37.17 66.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.476 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 91.6 p -69.47 -31.36 69.6 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.1 0.407 . . . . 10.0 112.1 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -74.21 -37.17 63.95 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 19.1 p -69.09 -37.85 78.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 65' ' ' VAL . . . . . 0.608 HG23 ' O ' ' D' ' 61' ' ' GLN . 38.7 t -70.75 -33.01 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.871 0.367 . . . . 10.0 110.424 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 tptp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 10.0 112.41 -178.703 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.455 ' NE1' HD23 ' B' ' 23' ' ' LEU . 89.1 t90 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 109.681 -0.489 . . . . 10.0 109.681 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -158.68 129.2 6.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.794 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.93 177.9 16.51 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.007 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -30.88 71.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.716 0.293 . . . . 10.0 110.569 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.6 pt? -72.93 -29.54 63.2 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.116 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -72.56 -30.26 64.27 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.151 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -70.06 -36.62 75.1 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.974 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 54.5 t -74.74 -30.61 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.902 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.466 ' HA ' HE21 ' A' ' 61' ' ' GLN . 73.1 m -73.62 -29.73 62.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 10.0 110.237 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.79 -40.16 55.67 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.665 . . . . 10.0 112.448 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' C' ' 35' ' ' ALA . 0.0 OUTLIER -64.69 -37.5 87.8 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 -179.663 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' O ' HG22 ' A' ' 20' ' ' VAL . 9.5 m-85 -76.58 -29.26 56.54 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.931 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -65.77 -52.54 50.09 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 113.01 0.745 . . . . 10.0 113.01 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -73.22 -22.87 60.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.427 0.632 . . . . 10.0 109.504 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.29 -52.66 41.98 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 114.991 -1.004 . . . . 10.0 113.75 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 16' ' ' PHE . 15.5 m -105.6 31.43 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.927 0.394 . . . . 10.0 110.999 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.31 -55.97 17.68 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.601 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -80.41 -11.75 59.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.276 0.56 . . . . 10.0 110.616 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 tm? -68.53 -33.38 74.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.516 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 64.9 mt-30 -59.05 -46.83 87.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.99 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -70.06 -26.47 64.03 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.537 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -70.21 -30.35 67.42 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.021 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 23' ' ' LEU . 47.8 t -68.41 -46.53 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-O 120.864 0.364 . . . . 10.0 110.231 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.4 p -71.01 -26.73 63.25 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.825 -0.625 . . . . 10.0 112.067 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' HD2' ' A' ' 33' ' ' LYS . 9.2 mm-40 -73.82 -43.97 57.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.58 -0.282 . . . . 10.0 111.227 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.28 -26.02 62.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.774 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.2 tp -73.08 -36.57 66.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.203 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -70.6 -37.95 73.95 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.074 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -70.16 -30.9 68.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.48 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.86 -25.92 48.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.359 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.14 73.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.855 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.29 -9.44 45.06 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 10.5 mmtp -108.36 128.38 25.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.261 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 37.2 Cg_exo -62.48 -72.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.773 2.315 . . . . 10.0 112.08 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 m -133.51 123.99 26.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 10.0 110.798 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -137.73 118.0 10.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.084 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.2 -39.25 31.6 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.604 2.202 . . . . 10.0 112.237 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.74 -40.81 54.83 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.98 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HB2' ' CB ' ' A' ' 40' ' ' ASP . 3.9 mm? -71.68 -25.48 62.12 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 tp -73.63 -37.21 65.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.785 0.326 . . . . 10.0 110.247 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.14 -29.18 61.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.62 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -44.08 71.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.596 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -72.03 -33.6 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.811 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.25 -47.77 78.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.335 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.0 p -69.15 -39.39 78.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.309 -0.405 . . . . 10.0 112.014 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 30.3 mmtm -69.81 -34.11 73.24 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.192 0.442 . . . . 10.0 112.192 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.5 tp -75.1 -30.07 60.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.927 0.394 . . . . 10.0 110.216 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.1 m -74.57 -30.0 61.56 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.647 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -69.39 -36.57 76.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.666 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.38 -32.75 73.05 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.391 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.3 -39.53 89.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.105 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.89 -28.31 61.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.802 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.486 ' HE1' ' HB3' ' A' ' 16' ' ' PHE . 4.2 t80 -67.86 -49.44 62.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.86 0.362 . . . . 10.0 110.339 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 58' ' ' ARG . 1.1 mmp_? -71.63 -35.81 70.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.41 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -71.65 -39.59 70.23 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.586 0.588 . . . . 10.0 112.586 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.85 -31.19 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.596 0.236 . . . . 10.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.466 HE21 ' HA ' ' A' ' 13' ' ' SER . 41.0 tt0 -75.17 -38.33 60.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.035 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.5 p -71.25 -28.27 64.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.832 0.349 . . . . 10.0 110.921 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -73.84 -36.59 64.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.512 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p -69.64 -39.27 77.21 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.576 0.584 . . . . 10.0 112.576 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.22 -29.73 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 10.0 110.309 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -48.24 36.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.755 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.647 ' O ' HG13 ' A' ' 71' ' ' ILE . 45.0 t -70.12 -48.66 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 66.0 t80 -54.84 -42.77 72.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 69' ' ' LYS . 24.6 mmtm -72.11 -34.49 68.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.55 -30.82 71.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.099 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.647 HG13 ' O ' ' A' ' 67' ' ' VAL . 4.4 mt -72.15 -47.48 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -56.81 -39.15 73.63 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.038 -0.983 . . . . 10.0 111.721 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.05 65.66 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.972 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.0 67.01 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.55 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 71' ' ' ILE . 2.9 mt -66.83 -36.73 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.216 0.531 . . . . 10.0 109.945 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' B' ' 56' ' ' LEU . 11.0 mt -60.95 -43.68 96.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.322 -0.853 . . . . 10.0 110.297 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.7 -31.06 66.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.475 -0.784 . . . . 10.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.55 -13.17 60.98 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.187 0.518 . . . . 10.0 110.184 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.47 ' CZ ' HD23 ' D' ' 51' ' ' LEU . 4.8 t80 -81.22 105.03 12.1 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.433 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.546 ' O ' HG22 ' B' ' 67' ' ' VAL . 7.1 tpt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.083 -0.96 . . . . 10.0 111.374 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.878 -0.489 . . . . 10.0 111.878 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.424 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.3 OUTLIER -66.72 -34.21 77.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.675 0.274 . . . . 10.0 111.008 179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.523 ' H ' HD23 ' B' ' 9' ' ' LEU . 1.2 pt? -72.2 -27.68 62.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.173 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.48 -32.65 66.4 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.179 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -70.99 -35.7 72.19 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.193 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.571 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 57.0 t -73.13 -32.87 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.868 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -73.63 -28.15 61.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.025 0.441 . . . . 10.0 109.948 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.17 -39.81 53.99 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.642 -0.708 . . . . 10.0 112.129 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.807 ' HZ1' HD12 ' D' ' 34' ' ' LEU . 7.0 ptmt -66.06 -38.95 89.61 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.902 0.382 . . . . 10.0 111.753 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.508 ' HB3' ' CE1' ' B' ' 57' ' ' TYR . 13.9 m-85 -74.41 -27.0 60.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.207 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.78 -53.39 57.92 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -73.88 -21.72 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.264 -1.013 . . . . 10.0 108.264 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.68 -52.13 53.8 Favored Glycine 0 CA--C 1.498 -1.018 0 CA-C-N 114.131 -1.395 . . . . 10.0 115.045 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.921 HG12 HD21 ' B' ' 23' ' ' LEU . 17.7 m -117.85 28.84 2.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.165 0.507 . . . . 10.0 110.593 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.06 -53.51 52.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.29 -0.868 . . . . 10.0 112.165 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -78.18 -26.29 47.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.569 0.951 . . . . 10.0 113.569 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.921 HD21 HG12 ' B' ' 20' ' ' VAL 0.259 4.1 pp -71.03 -20.49 62.38 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 48.2 mt-30 -56.96 -49.24 76.29 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.035 0.445 . . . . 10.0 110.365 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.7 t -72.06 -26.23 62.1 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.535 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -69.51 -27.36 65.12 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.745 178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 23' ' ' LEU . 95.4 t -70.14 -46.62 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.0 p -70.91 -25.74 62.9 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.616 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.35 -43.94 54.45 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.113 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.47 -28.11 63.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 61.1 tp -72.95 -36.26 67.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.643 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.26 -43.12 82.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -71.79 -23.96 61.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.922 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -77.16 -30.97 55.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.961 0.41 . . . . 10.0 110.022 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.81 -22.59 56.17 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.993 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.95 -21.08 25.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.079 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -101.39 138.98 20.06 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.872 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -64.29 -66.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.562 2.175 . . . . 10.0 110.977 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -143.34 123.87 14.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.883 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 0.4 OUTLIER -137.03 112.9 9.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.301 -179.665 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.97 -31.63 66.28 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.531 2.154 . . . . 10.0 111.98 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.66 -42.13 52.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.188 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.5 mm? -72.27 -24.48 61.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.785 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 tp -72.72 -38.88 67.33 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 120.712 0.291 . . . . 10.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.58 -28.76 62.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.265 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.91 -44.77 69.0 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.976 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -71.46 -33.38 69.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.525 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.53 -49.65 70.44 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.358 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 77.7 p -67.64 -38.99 84.63 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -71.32 -38.0 71.72 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.34 -33.69 71.77 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.292 0.567 . . . . 10.0 109.803 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' B' ' 55' ' ' ASN . 67.6 m -73.17 -28.07 62.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.387 178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' B' ' 49' ' ' SER . 36.1 mt-10 -70.15 -36.45 74.75 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.11 -0.496 . . . . 10.0 109.925 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -67.7 -28.76 67.94 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' B' ' 52' ' ' SER . 28.5 t-20 -71.86 -28.75 63.75 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.737 -1.119 . . . . 10.0 109.159 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 76' ' ' ILE . 2.9 tm? -70.92 -34.73 71.81 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.738 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' B' ' 16' ' ' PHE . 19.5 t80 -69.16 -51.43 38.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.82 -0.627 . . . . 10.0 112.188 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -72.24 -29.76 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.506 0.928 . . . . 10.0 113.506 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 36.2 m-20 -78.25 -45.92 21.65 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.48 73.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.595 0.236 . . . . 10.0 111.012 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -70.04 -41.27 74.43 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 90.1 p -69.18 -23.98 64.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.921 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.637 ' O ' HG23 ' B' ' 67' ' ' VAL . 1.8 m-20 -75.98 -45.37 35.1 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.195 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.7 m -65.4 -40.64 93.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 10.0 112.028 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.86 -32.34 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.076 0.465 . . . . 10.0 110.615 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -73.36 -41.03 63.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.916 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 63' ' ' ASN . 56.5 t -67.22 -53.15 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.03 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' PHE . . . . . 0.799 ' HA ' HD12 ' B' ' 71' ' ' ILE . 37.6 t80 -56.03 -38.89 71.17 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -70.54 -35.41 73.12 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.959 0.355 . . . . 10.0 111.959 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -71.28 -29.45 65.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.867 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' B' ' 68' ' ' PHE . 38.2 mt -68.57 -49.68 63.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.635 -0.505 . . . . 10.0 109.635 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' B' ' 75' ' ' ILE . 68.9 m-20 -65.44 -36.79 84.97 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.544 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.97 73.41 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.64 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -38.22 73.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.157 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' B' ' 72' ' ' ASP . 13.7 mt -69.15 -37.61 76.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.29 -36.98 78.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.021 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -76.62 -26.79 55.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.341 -0.391 . . . . 10.0 111.277 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -79.49 -15.11 58.33 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.814 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.265 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 56.4 t90 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.893 0.378 . . . . 10.0 109.997 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m -152.55 134.96 15.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.75 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.78 -178.63 15.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.852 -0.69 . . . . 10.0 111.974 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -31.5 72.4 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.648 0.261 . . . . 10.0 111.608 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.582 ' H ' HD23 ' C' ' 9' ' ' LEU . 1.5 pt? -72.46 -30.42 64.54 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.115 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -72.3 -32.47 66.6 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.08 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -70.39 -36.53 74.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.729 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.403 ' HA ' ' HG2' ' C' ' 15' ' ' LYS . 60.9 t -73.46 -31.84 34.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.714 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 13' ' ' SER . . . . . 0.472 ' HA ' HE21 ' C' ' 61' ' ' GLN . 70.2 m -74.0 -27.45 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.578 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.47 59.01 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.926 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' C' ' 12' ' ' VAL . 7.1 ptmt -68.19 -33.01 73.65 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.648 -0.251 . . . . 10.0 111.464 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.642 ' HB3' ' HE1' ' C' ' 57' ' ' TYR . 8.8 m-85 -77.82 -32.41 52.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.126 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.57 -50.74 64.04 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.539 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -75.93 -24.17 55.5 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.82 -43.96 95.4 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.536 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.457 HG22 ' O ' ' C' ' 16' ' ' PHE . 27.6 m -112.13 29.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.693 0.282 . . . . 10.0 111.336 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.02 -56.02 25.94 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.325 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -83.43 -8.84 59.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.086 0.47 . . . . 10.0 110.88 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.456 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.0 tm? -70.51 -33.12 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.004 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' C' ' 20' ' ' VAL . 71.3 mt-30 -59.3 -44.93 92.49 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.652 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -71.08 -26.51 63.09 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.53 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -70.52 -28.66 65.11 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.797 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.456 HG23 ' O ' ' C' ' 23' ' ' LEU . 65.7 t -69.94 -45.76 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.081 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 35.2 p -72.22 -24.71 61.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.903 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.59 -46.48 54.05 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.534 -0.303 . . . . 10.0 110.988 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.37 -24.2 61.23 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.094 0.474 . . . . 10.0 110.206 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' C' ' 27' ' ' VAL . 13.4 tp -67.56 -43.91 79.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.83 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.22 -33.97 70.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.735 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -40.78 83.03 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.072 0.397 . . . . 10.0 112.072 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 35.0 tp -75.94 -24.72 55.5 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ALA . . . . . 0.69 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . . . -49.85 -45.97 50.89 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . 0.273 . . -111.24 24.66 12.59 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 114.81 1.411 . . . . 10.0 114.81 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.491 ' HB3' ' OD1' ' C' ' 40' ' ' ASP . 1.0 OUTLIER -117.94 109.07 41.6 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 176.871 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -43.67 -68.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.875 3.05 . . . . 10.0 113.778 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 66.0 m -147.03 124.03 11.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.858 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.576 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 5.2 m-20 -137.11 118.89 11.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.668 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.68 -36.31 53.1 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.519 2.146 . . . . 10.0 111.867 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.63 -39.25 58.11 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.784 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.576 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.1 mm? -72.37 -28.53 63.07 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.3 -38.98 68.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.464 -0.335 . . . . 10.0 110.653 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.1 -29.22 61.74 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.761 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.04 66.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.956 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -71.33 -34.01 70.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.946 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -63.23 -45.71 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.07 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 59.1 p -70.83 -39.0 73.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 10.0 112.062 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -69.97 -34.91 73.99 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -75.4 -31.55 60.47 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.765 0.317 . . . . 10.0 110.773 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 66.6 m -74.75 -29.92 61.31 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.429 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.91 -36.38 83.22 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -68.83 -34.26 75.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.161 -0.927 . . . . 10.0 109.231 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -64.65 -46.16 83.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.147 -0.933 . . . . 10.0 111.311 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' C' ' 56' ' ' LEU . 1.8 mm? -74.43 -28.49 61.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 57' ' ' TYR . . . . . 0.642 ' HE1' ' HB3' ' C' ' 16' ' ' PHE . 0.2 OUTLIER -64.97 -47.97 75.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 10.0 110.982 179.383 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.514 ' NH2' ' HB3' ' C' ' 61' ' ' GLN . 1.3 mmp_? -78.93 -33.45 45.38 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -67.35 -32.95 74.24 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.845 -0.342 . . . . 10.0 111.149 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.87 -31.09 56.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.597 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.514 ' HB3' ' NH2' ' C' ' 58' ' ' ARG . 45.8 tt0 -74.67 -37.55 62.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 52.1 p -71.15 -30.79 66.9 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.831 0.348 . . . . 10.0 110.144 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -75.23 -39.12 60.26 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.782 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 11.7 p -67.77 -37.97 82.8 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.666 0.247 . . . . 10.0 111.666 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 82.5 t -69.88 -33.77 57.25 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.103 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -74.39 -43.17 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' VAL . . . . . 0.494 ' O ' HG13 ' C' ' 71' ' ' ILE . 78.8 t -70.36 -48.36 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -60.96 -43.39 98.81 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.378 0.511 . . . . 10.0 112.378 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.616 ' HE3' ' HA ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -66.75 -34.48 77.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.681 -0.236 . . . . 10.0 111.296 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -31.04 71.37 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.462 -0.336 . . . . 10.0 111.064 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 71' ' ' ILE . . . . . 0.494 HG13 ' O ' ' C' ' 67' ' ' VAL . 74.7 mt -69.29 -42.81 81.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 72' ' ' ASP . . . . . 0.527 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 65.4 m-20 -67.54 -31.96 72.42 Favored 'General case' 0 C--N 1.335 -0.049 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.854 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.81 56.85 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.793 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.68 -46.09 48.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 10.0 110.837 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 51.7 mt -71.41 -30.98 41.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.623 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' C' ' 72' ' ' ASP . 1.7 tp -69.12 -34.14 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -83.64 -19.53 35.24 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.769 0.319 . . . . 10.0 111.266 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 . . . . . 0 C--O 1.231 0.115 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.035 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.68 0.276 . . . . 10.0 111.272 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.79 -42.74 57.57 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.64 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -28.65 65.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.484 -0.326 . . . . 10.0 111.578 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.62 ' HB3' ' HE1' ' D' ' 57' ' ' TYR . 2.5 m-85 -77.96 -37.46 47.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.007 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.16 -50.2 66.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.429 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -75.22 -23.96 57.66 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.82 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.07 -43.13 96.15 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.916 -0.584 . . . . 10.0 112.84 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' D' ' 23' ' ' LEU . 31.1 m -115.02 32.24 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 10.0 111.152 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.4 -51.81 68.31 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.541 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' D' ' 26' ' ' GLN . 4.9 m-20 -82.37 -10.88 58.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.169 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.511 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 0.9 OUTLIER -71.15 -25.86 62.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.762 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -65.51 -45.67 82.62 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.43 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -72.47 -25.93 61.61 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.548 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' D' ' 22' ' ' ASN . 91.8 mm-40 -70.88 -30.42 66.78 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.434 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.452 HG23 ' O ' ' D' ' 23' ' ' LEU . 95.0 t -72.16 -43.36 66.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.359 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -69.26 -28.08 66.0 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.5 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.31 -32.31 55.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.091 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.86 78.09 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.452 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.92 -34.48 66.63 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.78 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.08 -46.68 88.77 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.496 0.498 . . . . 10.0 111.374 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' D' ' 33' ' ' LYS . 10.1 mptt -71.24 -25.77 62.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.382 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.807 HD12 ' HZ1' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -76.34 -23.48 54.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.322 179.494 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.41 -55.27 35.71 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.792 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.477 . . -98.06 26.35 5.34 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 115.536 1.68 . . . . 10.0 115.536 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -136.6 100.75 10.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 105.928 -1.879 . . . . 10.0 105.928 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -69.0 -74.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.77 2.314 . . . . 10.0 115.233 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 13.6 m -93.26 124.07 36.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.874 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 6.5 m-20 -139.41 119.69 9.41 Favored Pre-proline 0 N--CA 1.446 -0.639 0 N-CA-C 114.194 1.183 . . . . 10.0 114.194 -177.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.497 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 53.0 Cg_endo -73.42 -50.57 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.488 2.125 . . . . 10.0 110.709 176.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.79 -52.57 6.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.396 -1.274 . . . . 10.0 112.423 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' D' ' 43' ' ' LEU . 2.4 mm? -63.55 -23.0 67.2 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.31 1.226 . . . . 10.0 114.31 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.874 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -73.79 -37.55 64.91 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.07 0.462 . . . . 10.0 109.868 179.081 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.86 65.83 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.09 -0.959 . . . . 10.0 111.237 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.94 83.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.686 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -72.47 -33.14 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.832 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -62.05 -52.42 64.0 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 45.3 p -68.95 -38.95 79.74 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 50' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 34.7 mmtm -69.19 -31.67 70.44 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 79' ' ' PHE . 17.0 tp -74.83 -31.82 61.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.841 0.353 . . . . 10.0 110.33 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 50.9 m -74.7 -29.12 61.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.47 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.26 -36.54 81.81 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -67.25 -31.51 71.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.188 -0.914 . . . . 10.0 109.749 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 55' ' ' ASN . . . . . 0.617 HD22 HG12 ' B' ' 71' ' ' ILE . 28.5 t-20 -62.28 -50.46 71.59 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.304 -0.862 . . . . 10.0 112.232 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' D' ' 56' ' ' LEU . 1.3 mm? -73.91 -27.16 60.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 57' ' ' TYR . . . . . 0.62 ' HE1' ' HB3' ' D' ' 16' ' ' PHE . 8.3 t80 -60.13 -44.9 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 10.0 110.506 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -81.35 -31.5 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 10.0 112.483 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -72.12 -42.72 65.74 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.656 0.265 . . . . 10.0 111.574 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.64 -29.93 65.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.154 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 61' ' ' GLN . . . . . 0.492 ' O ' HG23 ' D' ' 65' ' ' VAL . 46.0 tt0 -73.74 -40.19 63.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.238 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 90.3 p -71.77 -26.88 62.62 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.267 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -73.91 -38.42 64.35 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.626 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 9.8 p -67.47 -37.47 82.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.788 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 65' ' ' VAL . . . . . 0.492 HG23 ' O ' ' D' ' 61' ' ' GLN . 31.7 t -71.99 -34.05 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 120.89 0.376 . . . . 10.0 110.406 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.0 tptp . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.862 -179.492 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.609 ' HZ3' ' HB3' ' D' ' 38' ' ' PRO . 79.8 m95 . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 120.613 0.244 . . . . 10.0 111.321 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -144.56 116.95 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 10.0 111.326 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.83 -177.15 38.97 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.758 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.444 ' O ' HG23 ' A' ' 12' ' ' VAL . 48.3 m-85 -67.11 -43.53 82.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.897 0.348 . . . . 10.0 111.283 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 tp -75.49 -38.4 59.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.137 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.17 -36.82 85.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.575 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -70.45 -36.05 73.7 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.973 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 8' ' ' TYR . 55.2 t -67.96 -38.97 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.714 0.292 . . . . 10.0 111.014 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 m -65.62 -47.4 75.76 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.738 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -21.92 60.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.995 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -63.53 -54.56 34.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.922 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 20' ' ' VAL . 68.6 m-85 -75.98 -30.6 58.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.67 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -51.01 63.38 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -79.15 -23.46 43.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.963 0.411 . . . . 10.0 110.22 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.05 -47.66 71.74 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-N 115.694 -0.684 . . . . 10.0 112.831 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 27.7 m -116.9 32.66 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.18 -47.83 82.74 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.499 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.405 ' O ' HG22 ' A' ' 25' ' ' THR . 8.2 t-20 -80.48 -12.57 59.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.249 0.547 . . . . 10.0 111.049 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.1 tm? -66.3 -30.92 71.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.231 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.55 -45.74 90.92 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 22' ' ' ASN . 14.7 t -70.84 -25.94 63.06 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.519 -0.309 . . . . 10.0 111.332 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -68.87 -32.16 71.63 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.961 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 23' ' ' LEU . 47.0 t -69.24 -44.77 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.906 0.384 . . . . 10.0 110.325 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.0 p -71.49 -24.48 61.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.874 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.85 -42.34 58.14 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.029 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.82 -30.29 66.69 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.721 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.2 tp -73.02 -35.99 66.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.822 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.5 -44.67 95.8 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.138 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 8.8 mptt -71.34 -29.8 65.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.604 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -32.82 74.71 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.455 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.61 -25.17 66.48 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.36 4.74 22.88 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 40.4 mmtm -110.22 125.56 30.77 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 112.034 0.383 . . . . 10.0 112.034 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 12.5 Cg_exo -71.47 -65.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.952 2.434 . . . . 10.0 110.866 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -118.64 124.1 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.798 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.38 95.86 11.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.551 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 28.0 Cg_endo -64.23 -43.02 15.81 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.478 2.119 . . . . 10.0 112.377 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.81 -41.28 53.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.798 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.7 mm? -71.21 -24.45 62.21 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.99 -41.66 70.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.871 0.367 . . . . 10.0 110.653 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -31.42 62.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.768 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.62 69.76 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.034 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -71.12 -34.18 70.82 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.705 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -66.29 -39.49 89.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.336 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.598 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 39.7 t -73.41 -42.75 61.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.729 -0.669 . . . . 10.0 111.37 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 66.4 mmtt -69.32 -32.64 71.88 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.586 0.588 . . . . 10.0 112.586 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.1 -33.34 61.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.783 0.325 . . . . 10.0 110.942 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.5 p -74.06 -29.4 61.86 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.367 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 49' ' ' SER . 51.0 mt-10 -66.48 -37.01 84.16 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -68.26 -36.7 79.82 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.928 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -64.66 -43.83 92.35 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.284 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.9 mm? -67.7 -35.68 79.26 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.221 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.23 -48.3 76.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.792 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.719 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -75.46 -35.59 60.85 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 4.8 m-20 -71.82 -39.73 69.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.22 -32.02 66.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.562 0.22 . . . . 10.0 111.157 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.638 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.8 tt0 -74.39 -47.25 35.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.067 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -64.32 -28.1 69.48 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.844 0.354 . . . . 10.0 110.804 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.6 t-20 -72.58 -42.6 64.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.81 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.3 p -69.44 -37.26 77.28 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.6 t -63.98 -44.21 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.659 0.266 . . . . 10.0 111.391 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.85 -48.06 40.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.65 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.9 t -64.97 -51.24 69.19 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.846 ' HE1' ' HB3' ' D' ' 39' ' ' SER . 54.9 t80 -56.47 -37.75 70.75 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.597 0.561 . . . . 10.0 112.053 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 12.5 mmmt -73.13 -35.27 66.49 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -61.42 -33.79 74.29 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.851 0.357 . . . . 10.0 110.272 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.666 ' O ' HD12 ' A' ' 75' ' ' ILE . 3.0 mt -68.83 -51.54 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.842 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.409 ' OD1' HD13 ' D' ' 44' ' ' LEU . 0.8 OUTLIER -53.86 -42.21 68.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.014 -0.994 . . . . 10.0 111.86 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -73.81 -26.93 60.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.994 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -47.58 65.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.69 -0.232 . . . . 10.0 111.072 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 71' ' ' ILE . 3.1 mt -63.6 -38.19 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.016 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 79' ' ' PHE . 19.5 mt -56.51 -43.41 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.17 -0.923 . . . . 10.0 110.714 179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -83.59 -13.53 54.14 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.157 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.511 ' O ' ' HG3' ' C' ' 66' ' ' LYS . 68.8 m-20 -85.97 -2.25 58.11 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 76' ' ' ILE . 1.4 m-85 -54.03 -84.52 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.264 177.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.908 ' HA ' ' HE3' ' C' ' 66' ' ' LYS . 59.3 mtm180 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.313 -0.851 . . . . 10.0 111.038 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.457 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.465 ' O ' HG23 ' B' ' 12' ' ' VAL . 65.8 m-85 -66.68 -45.69 78.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.005 0.403 . . . . 10.0 111.483 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 tp -75.31 -39.12 59.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.534 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -64.99 -39.94 94.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.711 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.66 ' HB3' HD11 ' D' ' 31' ' ' LEU . 0.5 OUTLIER -69.08 -35.25 76.28 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.699 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.781 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 53.8 t -66.35 -34.09 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.325 0.583 . . . . 10.0 111.003 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m -71.53 -45.27 62.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.372 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.72 -25.36 56.54 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.837 ' HE3' ' HG ' ' D' ' 34' ' ' LEU . 0.5 OUTLIER -65.48 -49.01 70.64 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.811 0.3 . . . . 10.0 111.811 -179.181 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.688 ' N ' ' HG3' ' B' ' 15' ' ' LYS . 33.8 m-85 -76.64 -31.7 57.52 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.692 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.5 OUTLIER -66.09 -52.78 45.56 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 114.499 1.296 . . . . 10.0 114.499 -178.765 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -77.38 -23.81 50.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 10.0 111.872 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.6 -48.12 13.95 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 115.186 0.834 . . . . 10.0 115.186 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.636 HG22 ' O ' ' B' ' 16' ' ' PHE . 34.3 m -109.26 31.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.385 0.612 . . . . 10.0 112.119 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' B' ' 17' ' ' ASP . 13.3 t70 -71.18 -20.54 62.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.372 -0.831 . . . . 10.0 110.633 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.531 ' HB3' ' HE1' ' A' ' 5' ' ' TRP . 6.3 t-20 -93.11 -23.84 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.621 ' HG ' ' HB ' ' B' ' 20' ' ' VAL 0.284 0.8 OUTLIER -68.52 -21.29 64.58 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.607 0.966 . . . . 10.0 113.607 -179.833 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.417 ' N ' HD12 ' B' ' 23' ' ' LEU . 81.8 mm-40 -57.9 -47.33 83.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.006 0.431 . . . . 10.0 110.211 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -73.79 -25.87 60.35 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.78 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -69.85 -31.76 69.78 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.145 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 23' ' ' LEU . 98.7 t -70.88 -45.07 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.898 0.38 . . . . 10.0 110.015 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 39.3 p -69.56 -24.74 63.75 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.457 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.99 -41.18 52.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.637 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.48 64.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.695 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -73.17 -35.96 66.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.624 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.05 -44.82 91.31 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.699 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.95 -24.2 61.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.656 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -67.99 -34.59 76.81 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.994 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.61 -12.03 60.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.889 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.56 6.37 23.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.997 0.369 . . . . 10.0 111.997 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 43.9 mmtm -122.4 126.82 26.08 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 16.9 Cg_exo -69.45 -58.36 0.1 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.89 2.393 . . . . 10.0 110.551 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.3 p -130.81 124.68 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.48 -0.782 . . . . 10.0 108.922 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.595 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.6 OUTLIER -136.6 95.88 12.41 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -178.747 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 27.7 Cg_endo -64.51 -34.53 52.77 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.452 2.101 . . . . 10.0 111.492 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.71 ' HA ' ' NH1' ' A' ' 58' ' ' ARG . . . -76.04 -46.58 28.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.227 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.9 mm? -71.34 -21.13 62.08 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.761 0.652 . . . . 10.0 112.761 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.7 tp -69.57 -43.66 72.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.872 0.368 . . . . 10.0 110.623 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.48 62.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.801 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.45 64.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.365 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -71.3 -33.71 69.94 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.833 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -66.09 -39.3 89.89 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.679 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 35.7 t -74.9 -38.69 61.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.338 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' B' ' 50' ' ' LYS . 66.2 mmtt -74.35 -32.36 62.76 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.8 tp -74.09 -34.79 64.11 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 84.0 p -74.07 -28.1 61.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.255 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.744 ' HA ' HD23 ' B' ' 56' ' ' LEU . 19.6 mt-10 -67.04 -37.1 83.51 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.306 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -69.56 -30.05 67.75 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 66.8 t30 -69.02 -42.79 75.91 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.791 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' B' ' 53' ' ' GLU . 0.7 OUTLIER -68.64 -29.61 68.13 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.802 0.334 . . . . 10.0 111.234 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -68.99 -47.02 66.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.555 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.624 ' HA ' ' HE ' ' B' ' 58' ' ' ARG . 0.6 OUTLIER -78.49 -33.35 48.26 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.473 0.545 . . . . 10.0 112.473 -179.419 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 3.2 m120 -71.23 -50.68 30.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.0 77.18 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.203 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.459 ' O ' HG23 ' B' ' 65' ' ' VAL . 41.2 tt0 -70.35 -45.06 66.87 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.478 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 80.7 p -65.78 -24.65 66.98 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.785 0.326 . . . . 10.0 110.805 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.499 ' O ' HG12 ' B' ' 67' ' ' VAL . 1.2 m-20 -74.85 -44.56 48.45 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.161 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 34.5 p -70.25 -37.24 74.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 10.0 112.071 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 61' ' ' GLN . 49.3 t -61.0 -42.34 92.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.273 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -73.64 -45.73 50.96 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 113.36 0.874 . . . . 10.0 113.36 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 80' ' ' ARG . 5.6 p -61.17 -48.37 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -64.92 -35.43 81.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.649 0.262 . . . . 10.0 111.516 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.573 ' HA ' ' HE3' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -73.63 -36.46 65.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -70.95 -38.91 72.85 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.625 0.25 . . . . 10.0 111.625 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 75' ' ' ILE . 15.8 pt -75.06 -29.19 21.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.402 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -72.07 -40.89 67.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.062 0.458 . . . . 10.0 109.807 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 -21.91 60.46 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.741 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.39 -38.6 74.72 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.416 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 71' ' ' ILE . 14.0 mt -65.54 -42.58 93.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.088 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 68.2 mt -58.65 -37.53 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.26 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -83.51 -19.6 35.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.612 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -89.33 -0.18 57.28 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.278 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.447 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 12.6 m95 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.639 0.257 . . . . 10.0 110.999 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 17.1 p -148.4 124.46 10.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.01 0.433 . . . . 10.0 111.302 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.07 -169.98 40.37 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.8 -0.637 . . . . 10.0 111.728 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -66.75 -47.22 72.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.751 0.31 . . . . 10.0 111.513 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 37.4 tp -74.74 -36.07 62.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.504 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -67.45 -35.82 79.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.974 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' C' ' 15' ' ' LYS . 0.5 OUTLIER -71.44 -36.32 71.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.578 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.47 -40.13 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.713 0.292 . . . . 10.0 110.987 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 48.6 m -65.57 -45.22 84.1 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.108 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.89 59.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.557 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' C' ' 11' ' ' ASP . 5.2 tptp -67.19 -46.51 73.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.489 ' O ' HG22 ' C' ' 20' ' ' VAL . 57.2 m-85 -77.87 -32.95 52.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.673 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -50.59 65.79 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.175 0.435 . . . . 10.0 112.175 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -79.28 -23.98 43.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 10.0 111.292 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.55 -49.15 58.03 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.999 -0.62 . . . . 10.0 113.046 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.524 ' HB ' ' HB3' ' C' ' 23' ' ' LEU . 27.0 m -110.11 31.63 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 111.982 0.364 . . . . 10.0 111.982 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.87 -48.81 78.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -85.61 -11.4 54.03 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.042 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.524 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.0 tm? -65.67 -33.48 75.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.351 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -58.38 -47.18 84.7 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.116 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -69.12 -25.77 64.56 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.427 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -69.37 -30.69 68.74 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.568 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 67.3 t -68.79 -46.23 79.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.414 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.3 p -71.23 -24.72 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.827 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -72.52 -47.05 51.5 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.285 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.48 -29.17 67.72 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.957 0.408 . . . . 10.0 110.808 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 40.3 tp -72.98 -34.99 66.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.257 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.76 -37.73 87.76 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.249 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' C' ' 33' ' ' LYS . 0.6 OUTLIER -71.87 -32.82 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 10.0 110.949 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.444 HD12 ' HE1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -68.17 -21.22 64.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.395 179.239 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.14 -55.46 3.89 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 113.739 1.014 . . . . 10.0 113.739 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.57 25.3 5.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' C' ' 37' ' ' LYS . 0.0 OUTLIER -87.55 123.36 69.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 10.0 110.785 179.416 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.503 ' CB ' ' HG2' ' A' ' 53' ' ' GLU . 19.0 Cg_endo -59.41 -73.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.163 2.575 . . . . 10.0 113.21 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -131.63 125.61 32.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.003 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.768 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -135.63 92.58 16.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.485 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 41' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 22.6 Cg_endo -63.21 -37.7 49.51 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.585 2.19 . . . . 10.0 112.128 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.62 54.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.908 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.768 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.7 mm? -72.24 -22.28 61.27 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.504 0.557 . . . . 10.0 112.504 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.26 -42.6 71.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.863 0.363 . . . . 10.0 110.567 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.82 -31.03 63.03 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.706 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.18 66.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.139 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -69.6 -34.33 73.96 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.84 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -67.3 -39.42 85.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.871 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t -73.71 -42.13 61.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.613 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 71.3 mmtt -69.6 -31.89 70.29 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.331 0.493 . . . . 10.0 112.331 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tp -75.3 -33.69 61.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.645 0.259 . . . . 10.0 111.05 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -74.68 -30.82 61.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.382 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -64.05 -36.35 83.71 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -70.62 -35.89 73.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.046 -0.979 . . . . 10.0 109.898 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -61.45 -50.73 71.61 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.934 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' C' ' 56' ' ' LEU . 2.4 mm? -70.11 -27.01 64.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.034 -0.53 . . . . 10.0 112.381 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 57' ' ' TYR . . . . . 0.497 ' CD2' ' HG2' ' C' ' 58' ' ' ARG . 1.1 t80 -63.21 -54.97 29.17 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.843 0.312 . . . . 10.0 111.843 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.683 HH21 ' HG2' ' C' ' 61' ' ' GLN . 0.6 OUTLIER -75.94 -33.16 59.82 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -178.893 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -67.42 -40.25 85.53 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.554 0.216 . . . . 10.0 111.533 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.3 -32.28 62.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.407 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.683 ' HG2' HH21 ' C' ' 58' ' ' ARG . 5.9 tp60 -66.07 -52.44 48.9 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.118 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 58.9 p -64.15 -32.98 74.75 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.643 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -66.73 -50.03 64.08 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.973 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 28.9 p -64.12 -37.11 86.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.556 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.595 HG23 ' O ' ' C' ' 61' ' ' GLN . 54.1 t -60.2 -52.03 66.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.41 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 66' ' ' LYS . . . . . 0.908 ' HE3' ' HA ' ' A' ' 80' ' ' ARG . 4.3 tmtt? -72.44 -34.56 67.88 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.67 -48.58 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -64.68 -34.29 77.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.67 0.272 . . . . 10.0 111.463 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 28.1 mmmt -72.3 -34.12 67.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.812 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -63.83 -33.17 75.09 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.763 0.316 . . . . 10.0 110.374 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.56 -41.89 72.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.684 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.9 -36.21 82.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.48 -22.41 47.54 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.206 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.47 -40.26 61.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.625 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.97 -42.59 82.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 5.7 tp -62.13 -31.55 51.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.505 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -84.69 -20.21 31.57 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.752 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 . . . . . 0 C--O 1.232 0.184 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.087 179.172 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.54 0.21 . . . . 10.0 111.442 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.08 -25.94 58.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.737 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -41.33 70.94 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.612 -0.267 . . . . 10.0 111.439 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.438 ' O ' HG22 ' D' ' 20' ' ' VAL . 47.1 m-85 -78.43 -44.24 25.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.73 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -50.82 65.46 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.9 m -79.51 -28.85 41.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.689 0.281 . . . . 10.0 111.631 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.03 -53.46 33.62 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.947 -0.644 . . . . 10.0 113.567 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.466 ' HB ' ' HB2' ' D' ' 23' ' ' LEU . 32.1 m -106.89 32.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.178 0.513 . . . . 10.0 111.612 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.6 -39.12 86.97 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.535 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -80.63 -8.92 59.78 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.904 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.491 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.5 OUTLIER -71.14 -26.14 62.87 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.726 -0.215 . . . . 10.0 111.414 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -61.22 -46.3 91.0 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t -73.3 -25.78 60.8 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.623 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -68.96 -35.39 76.69 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.354 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 23' ' ' LEU . 51.4 t -71.26 -40.1 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.84 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -69.49 -28.42 66.05 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.791 0.329 . . . . 10.0 111.319 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -77.32 -33.93 55.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.449 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.27 -42.5 72.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.524 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -72.99 -34.89 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.918 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -62.47 -45.46 92.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.384 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' D' ' 37' ' ' LYS . 0.0 OUTLIER -69.06 -47.2 65.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.946 179.542 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.837 ' HG ' ' HE3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -61.94 -23.19 66.21 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 -179.191 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 35' ' ' ALA . . . . . 0.809 ' HA ' ' HE2' ' B' ' 15' ' ' LYS . . . -50.24 -54.03 24.02 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.48 24.26 5.32 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' D' ' 33' ' ' LYS . 12.9 mmtp -121.68 103.2 40.93 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.609 ' HB3' ' HZ3' ' A' ' 5' ' ' TRP . 14.4 Cg_endo -58.47 -73.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.952 2.435 . . . . 10.0 113.402 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 39' ' ' SER . . . . . 0.846 ' HB3' ' HE1' ' A' ' 68' ' ' PHE . 16.2 m -96.38 124.05 40.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.822 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.4 OUTLIER -138.18 106.05 7.96 Favored Pre-proline 0 C--O 1.216 -0.682 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -178.131 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.753 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 38.2 Cg_endo -69.48 -48.3 0.81 Allowed 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 122.646 2.231 . . . . 10.0 111.698 177.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.72 -47.59 15.05 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.197 -0.911 . . . . 10.0 112.45 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 2.4 mm? -65.21 -23.78 67.17 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.822 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -82.44 -42.53 18.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 10.0 110.844 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.87 -32.63 67.65 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.999 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.35 -36.78 71.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.857 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.72 -34.22 71.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.016 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.75 -40.88 96.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.527 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 88.8 p -76.77 -38.76 53.52 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 68.4 mmtt -68.83 -36.99 78.86 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.41 -30.13 59.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.16 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 93.4 p -74.49 -30.11 61.7 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.94 0.4 . . . . 10.0 109.946 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.95 -36.64 75.44 Favored 'General case' 0 C--O 1.23 0.079 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -67.04 -35.79 80.65 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.209 -0.905 . . . . 10.0 110.422 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -62.35 -52.18 64.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.5 -0.773 . . . . 10.0 112.003 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.3 mm? -70.76 -27.18 63.75 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.17 0.804 . . . . 10.0 113.17 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.067 0.46 . . . . 10.0 110.096 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 58' ' ' ARG . . . . . 0.717 ' HA ' ' HE ' ' D' ' 58' ' ' ARG . 0.4 OUTLIER -82.45 -36.36 26.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.363 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -71.44 -37.48 71.42 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.81 -33.95 62.3 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.679 0.251 . . . . 10.0 111.679 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -73.46 -41.02 63.72 Favored 'General case' 0 C--N 1.334 -0.072 0 CA-C-O 120.72 0.295 . . . . 10.0 111.095 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p -70.15 -25.84 63.65 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.002 0.429 . . . . 10.0 110.494 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -76.28 -42.75 44.42 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.995 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 14.1 p -66.93 -38.17 85.66 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 87.1 t -70.17 -32.82 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.814 0.34 . . . . 10.0 110.548 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.495 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.791 ' HE1' HD23 ' B' ' 23' ' ' LEU . 16.7 t90 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -88.88 128.74 35.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.67 0.271 . . . . 10.0 111.421 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.0 152.71 13.3 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.808 -0.71 . . . . 10.0 112.249 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.46 -37.46 82.96 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.837 0.31 . . . . 10.0 111.837 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.604 HD21 ' CD2' ' A' ' 68' ' ' PHE . 2.6 mm? -74.98 -22.19 58.69 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.395 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.415 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 25.7 t70 -68.8 -36.01 77.71 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.987 0.422 . . . . 10.0 110.05 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.32 -36.35 71.54 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.252 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.403 HG11 HG21 ' A' ' 64' ' ' THR . 59.7 t -70.01 -35.53 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.321 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -68.23 -46.69 69.83 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.811 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.83 63.0 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.058 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' C' ' 35' ' ' ALA . 20.3 tptp -65.95 -42.95 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.551 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' O ' HG22 ' A' ' 20' ' ' VAL . 13.1 m-85 -71.49 -32.91 68.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.2 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.47 -42.3 92.41 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -67.93 -24.18 65.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.113 0.483 . . . . 10.0 109.922 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -37.96 45.01 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.581 -0.736 . . . . 10.0 112.327 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 16' ' ' PHE . 21.1 m -111.7 31.56 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 120.732 0.301 . . . . 10.0 111.766 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.77 -55.42 19.9 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.317 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -81.63 -10.74 59.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.36 0.6 . . . . 10.0 110.245 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 tm? -69.37 -32.18 71.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.57 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -60.03 -46.38 89.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.872 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -71.08 -26.23 62.97 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.501 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -70.66 -30.32 66.9 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.15 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 23' ' ' LEU . 86.2 t -70.64 -43.49 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.279 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 p -73.04 -25.13 60.83 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.537 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.73 -40.99 65.65 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.048 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.42 -24.27 54.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.789 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.7 tp -69.67 -46.64 65.63 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.618 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.74 -31.53 68.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.855 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -69.51 -36.14 76.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.937 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 43' ' ' LEU . 1.4 tm? -76.57 -30.93 57.23 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.185 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -23.95 60.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.987 0.366 . . . . 10.0 111.987 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.96 4.6 53.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.765 0.317 . . . . 10.0 111.591 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -131.41 136.51 28.75 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.763 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.39 -66.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.693 2.262 . . . . 10.0 112.176 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 p -150.2 125.65 10.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 10.0 111.448 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.86 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -133.58 125.4 18.52 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.52 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.63 -36.09 54.98 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.425 2.084 . . . . 10.0 111.974 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.37 -37.23 60.71 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.748 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.86 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 4.0 mm? -72.24 -30.72 65.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.839 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.6 mt -72.69 -34.77 67.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.143 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.98 -35.26 64.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.683 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.68 -41.86 64.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.118 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -69.72 -34.37 73.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.216 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -40.21 79.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.885 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 27.7 t -72.83 -40.99 65.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.284 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -68.41 -33.22 73.85 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.1 tp -73.88 -29.66 62.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.948 0.404 . . . . 10.0 110.422 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.9 m -74.29 -29.79 61.8 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.523 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.969 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 45.2 mt-10 -68.66 -37.09 79.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.047 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -70.35 -32.5 70.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.583 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.48 -38.47 87.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.428 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.518 HD11 HD11 ' C' ' 44' ' ' LEU . 0.7 OUTLIER -70.13 -31.47 69.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.6 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 2.0 t80 -65.75 -41.61 91.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 10.0 110.139 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -77.58 -33.35 53.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 10.0 112.423 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -73.15 -44.76 59.6 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.404 ' HB3' ' HE2' ' A' ' 16' ' ' PHE . . . -72.9 -31.11 64.43 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.851 0.315 . . . . 10.0 111.851 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 49.3 tt0 -67.71 -50.33 58.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.042 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.2 p -70.87 -21.24 62.43 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.689 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.592 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -70.16 -44.77 68.13 Favored 'General case' 0 C--O 1.227 -0.107 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.318 178.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.403 HG21 HG11 ' A' ' 12' ' ' VAL . 5.9 m -63.27 -38.14 89.99 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.08 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 89.2 t -68.13 -40.24 82.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -68.66 -38.5 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 63' ' ' ASN . 20.1 t -67.96 -52.37 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 113.823 1.046 . . . . 10.0 113.823 -178.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.83 ' HE2' ' HB3' ' D' ' 39' ' ' SER . 20.6 t80 -65.72 -35.57 81.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.487 -0.485 . . . . 10.0 112.281 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -62.89 -33.62 75.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.977 0.418 . . . . 10.0 110.486 178.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -71.38 -47.97 52.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.881 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -65.04 -39.07 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.702 ' HA ' HD12 ' A' ' 75' ' ' ILE . 9.6 t70 -70.55 -27.65 64.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.539 -0.301 . . . . 10.0 111.765 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.89 -32.12 70.29 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.789 0.328 . . . . 10.0 110.253 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.39 77.18 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.969 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 72' ' ' ASP . 18.0 mt -63.74 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.73 0.776 . . . . 10.0 109.536 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.521 ' O ' ' HB2' ' A' ' 79' ' ' PHE . 3.7 mt -58.15 -42.98 84.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.664 -1.153 . . . . 10.0 111.307 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.95 -15.11 60.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.787 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -75.52 -21.07 58.29 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' A' ' 76' ' ' ILE . 20.1 m-85 -58.03 118.9 5.9 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.155 -0.929 . . . . 10.0 109.808 177.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.112 -0.947 . . . . 10.0 111.943 -179.54 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.267 -0.333 . . . . 10.0 112.267 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -66.6 -37.64 85.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.612 0.244 . . . . 10.0 111.581 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.23 -22.19 58.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.723 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -69.56 -33.99 73.54 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.423 ' OD2' HD21 ' D' ' 31' ' ' LEU . 16.5 t70 -73.37 -36.15 66.05 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.199 -0.91 . . . . 10.0 110.141 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.508 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 84.8 t -67.82 -32.48 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.338 0.589 . . . . 10.0 109.951 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -71.22 -40.87 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.655 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -28.42 61.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.21 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.517 ' NZ ' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -64.28 -41.72 96.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.812 0.339 . . . . 10.0 111.019 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.669 ' O ' HG22 ' B' ' 20' ' ' VAL . 36.6 m-85 -73.54 -39.02 65.05 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.282 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -57.02 -50.52 72.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.334 1.235 . . . . 10.0 114.334 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.7 m -56.19 -32.88 64.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.39 -43.15 16.6 Favored Glycine 0 CA--C 1.494 -1.236 0 C-N-CA 120.617 -0.801 . . . . 10.0 114.326 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.886 HG12 HD21 ' B' ' 23' ' ' LEU . 17.1 m -87.09 12.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.091 -0.554 . . . . 10.0 111.041 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -64.24 -43.14 95.85 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.706 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.408 ' O ' HG22 ' B' ' 25' ' ' THR . 7.3 t-20 -82.87 -27.35 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.886 HD21 HG12 ' B' ' 20' ' ' VAL 0.29 3.8 pp -70.9 -20.39 62.5 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 54.6 mt-30 -57.49 -47.49 81.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.016 0.436 . . . . 10.0 110.038 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.408 HG22 ' O ' ' B' ' 22' ' ' ASN . 15.0 t -73.32 -26.05 60.89 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.579 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -70.04 -29.6 66.67 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.848 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 23' ' ' LEU . 92.6 t -70.58 -45.03 76.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 38.0 p -71.67 -26.4 62.51 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.202 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 25' ' ' THR . 1.1 tm-20 -72.05 -41.25 67.67 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.277 -0.42 . . . . 10.0 109.999 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.16 -24.37 57.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.759 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp -71.32 -45.59 62.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.504 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -70.67 -31.57 68.53 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.999 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -69.49 -34.59 74.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.873 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' B' ' 34' ' ' LEU . 1.0 OUTLIER -76.13 -31.09 58.46 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.673 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.67 -21.31 57.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.556 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.07 4.43 53.92 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.28 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -132.1 146.08 60.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.938 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -66.4 -61.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.595 2.197 . . . . 10.0 111.272 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.7 p -160.97 125.8 3.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.955 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.666 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -132.38 124.86 19.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.527 179.681 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.23 -31.69 74.16 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.37 2.046 . . . . 10.0 111.672 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.67 -41.58 60.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.333 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.4 mm? -72.63 -23.33 60.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.9 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.93 -44.72 65.59 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.308 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.2 -28.94 61.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.966 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.77 -42.44 70.42 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.462 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -72.05 -33.7 68.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.498 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -41.38 79.23 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.823 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 43.4 t -70.2 -39.18 75.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.787 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -71.59 -31.84 67.37 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.815 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.55 -31.78 62.23 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.032 0.444 . . . . 10.0 109.82 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.2 m -73.7 -29.21 62.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.364 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -69.67 -36.91 76.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.069 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -69.49 -32.39 71.24 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -69.72 -29.88 67.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.601 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.47 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -66.02 -35.46 80.61 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.078 179.028 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 57' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 9.1 t80 -67.26 -48.46 67.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.702 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.458 ' HD3' HH11 ' B' ' 58' ' ' ARG . 3.0 mmp_? -75.63 -24.23 56.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.391 0.885 . . . . 10.0 113.391 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -78.26 -58.32 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.98 -30.26 70.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.472 0.177 . . . . 10.0 111.301 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.433 ' O ' HG23 ' B' ' 65' ' ' VAL . 50.6 tt0 -67.33 -45.11 77.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.382 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 79.0 p -70.94 -21.16 62.38 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.673 0.273 . . . . 10.0 111.27 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.645 ' O ' HG23 ' B' ' 67' ' ' VAL . 9.0 m-20 -75.75 -45.35 36.89 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.418 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -61.51 -37.5 83.94 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.688 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 61' ' ' GLN . 59.1 t -67.17 -37.63 79.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.848 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -71.46 -33.33 69.24 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 63' ' ' ASN . 23.6 t -66.35 -53.03 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -70.11 -35.17 73.94 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.57 0.582 . . . . 10.0 112.57 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.446 ' NZ ' ' HA ' ' B' ' 69' ' ' LYS . 3.0 mmpm? -65.13 -34.65 78.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.708 0.29 . . . . 10.0 111.543 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -71.39 -46.14 61.06 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.185 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.478 HG21 ' ND2' ' D' ' 55' ' ' ASN . 1.2 pt -71.43 -29.2 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.857 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ASP . . . . . 0.574 ' HA ' HD12 ' B' ' 75' ' ' ILE . 32.8 t70 -72.28 -32.88 67.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.36 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.88 -32.51 73.06 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.026 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.85 87.35 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.745 -0.662 . . . . 10.0 110.811 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' B' ' 72' ' ' ASP . 10.8 mt -65.84 -43.08 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.786 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.489 ' HA ' ' HD2' ' B' ' 79' ' ' PHE . 76.0 mt -61.35 -35.57 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.016 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -77.77 -16.35 58.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.181 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -80.25 -22.51 41.64 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.56 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.489 ' HD2' ' HA ' ' B' ' 76' ' ' ILE . 30.7 m-85 . . . . . 0 C--O 1.232 0.176 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.742 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' TRP . . . . . 0.432 ' CE3' ' HB2' ' C' ' 10' ' ' ASP . 8.0 t90 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.815 0.34 . . . . 10.0 110.775 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -102.56 126.59 49.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.509 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.58 158.53 21.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.539 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.04 -33.82 76.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.949 0.404 . . . . 10.0 111.376 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.591 ' H ' HD12 ' C' ' 9' ' ' LEU . 3.5 mp -74.23 -23.14 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.094 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.432 ' HB2' ' CE3' ' C' ' 5' ' ' TRP . 20.8 t70 -71.69 -34.59 69.78 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.399 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -73.05 -37.44 66.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.783 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.519 HG11 HG21 ' C' ' 64' ' ' THR . 59.4 t -69.19 -35.97 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.698 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -67.4 -46.57 72.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.683 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -25.57 63.8 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.421 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -65.56 -39.48 91.74 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 10.0 110.707 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.515 ' O ' HG22 ' C' ' 20' ' ' VAL . 18.5 m-30 -75.5 -33.39 60.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.069 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -65.16 -39.54 93.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.933 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 16.3 m -70.43 -29.47 66.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.928 0.394 . . . . 10.0 110.767 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.48 -34.33 60.43 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.016 -0.611 . . . . 10.0 112.276 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.515 HG22 ' O ' ' C' ' 16' ' ' PHE . 29.2 m -110.15 30.34 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.768 0.318 . . . . 10.0 111.484 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.11 -55.9 18.68 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.413 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -83.86 -9.11 58.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.224 0.535 . . . . 10.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.462 ' O ' HG23 ' C' ' 27' ' ' VAL . 2.9 tm? -69.22 -33.87 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.034 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -59.25 -45.58 90.79 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.13 -0.486 . . . . 10.0 112.089 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -71.67 -26.01 62.35 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.599 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.46 -28.5 63.99 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.773 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.462 HG23 ' O ' ' C' ' 23' ' ' LEU . 92.5 t -70.15 -46.4 72.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.065 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.115 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 38.3 p -71.13 -25.81 62.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.487 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.79 -44.14 67.23 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.324 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.77 -24.07 52.91 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.965 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 tp -71.2 -42.96 68.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.505 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -31.39 68.14 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.62 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 25.6 mttp -71.71 -35.91 70.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.289 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -73.44 -52.03 15.12 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . . . -64.79 -21.12 66.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.87 21.02 15.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.307 0.575 . . . . 10.0 111.066 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 14.9 tptt -141.88 124.64 9.42 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.89 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.969 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 59.6 Cg_exo -42.72 -72.66 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.86 3.04 . . . . 10.0 114.241 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -154.54 125.73 7.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.963 0.411 . . . . 10.0 111.844 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.849 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 3.9 m-20 -136.71 119.04 11.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.88 -32.41 66.4 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.185 1.923 . . . . 10.0 112.0 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.6 -35.12 60.62 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.546 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.849 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.2 mm? -72.71 -29.73 63.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.738 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 56' ' ' LEU . 36.5 mt -72.52 -36.7 68.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.167 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.27 -32.75 63.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.73 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.99 -45.24 59.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.276 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -67.58 -34.64 77.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.469 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -40.1 84.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.055 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.6 t -74.76 -39.17 61.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.507 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 33.4 mmtm -66.65 -40.66 88.77 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tp -72.23 -29.79 64.28 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.976 -0.289 . . . . 10.0 111.451 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 66.3 m -73.37 -29.5 62.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.717 0.294 . . . . 10.0 110.317 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.16 -37.16 86.46 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -71.57 -31.49 67.03 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.343 -0.844 . . . . 10.0 109.063 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -63.81 -44.36 93.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.864 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.0 OUTLIER -70.77 -28.09 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 57' ' ' TYR . . . . . 0.497 ' HD1' ' HB3' ' C' ' 16' ' ' PHE . 0.2 OUTLIER -65.38 -40.37 93.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.994 0.426 . . . . 10.0 109.897 178.441 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.498 ' NH2' ' HB3' ' C' ' 61' ' ' GLN . 2.3 mmp_? -78.76 -35.77 44.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.625 -0.716 . . . . 10.0 112.351 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -69.04 -36.38 77.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.143 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.36 -31.62 54.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.36 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.498 ' HB3' ' NH2' ' C' ' 58' ' ' ARG . 35.7 tt0 -69.69 -45.8 67.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 29.0 m -69.02 -28.11 66.27 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.161 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 63' ' ' ASN . . . . . 0.433 ' O ' HG23 ' C' ' 67' ' ' VAL . 1.2 m-20 -68.25 -46.67 69.83 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.964 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 64' ' ' THR . . . . . 0.519 HG21 HG11 ' C' ' 12' ' ' VAL . 28.8 m -62.43 -38.29 89.15 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.833 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 93.3 t -64.63 -46.89 91.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.26 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -68.81 -32.46 72.19 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 67' ' ' VAL . . . . . 0.433 HG23 ' O ' ' C' ' 63' ' ' ASN . 53.9 t -69.6 -55.1 16.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -66.63 -32.39 73.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 0.5 OUTLIER -69.57 -34.46 74.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.644 0.259 . . . . 10.0 111.48 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.89 -49.44 61.94 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.375 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 pt -69.46 -33.17 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -72.31 -29.11 63.53 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.789 0.328 . . . . 10.0 110.953 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.21 66.15 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.161 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.57 -34.21 65.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.657 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -66.77 -47.56 82.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pt -68.54 -22.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.997 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -80.67 -18.74 47.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 10.0 110.31 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 177.709 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.695 0.283 . . . . 10.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.99 -27.88 66.1 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.331 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -66.8 -37.15 83.97 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.559 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.484 ' O ' HG22 ' D' ' 20' ' ' VAL . 13.2 m-85 -74.92 -36.42 62.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.943 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.15 -39.88 93.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.75 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 25.5 m -70.34 -30.14 67.01 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.993 0.425 . . . . 10.0 110.75 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.55 -32.93 64.16 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.411 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.484 HG22 ' O ' ' D' ' 16' ' ' PHE . 27.2 m -111.49 28.83 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.919 0.39 . . . . 10.0 111.172 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.1 -53.41 55.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.344 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.61 -9.71 59.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.664 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.436 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.9 OUTLIER -71.01 -29.67 65.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.643 179.644 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -62.78 -44.47 96.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.683 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -73.67 -26.03 60.54 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.655 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.52 -31.32 66.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.149 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.436 HG23 ' O ' ' D' ' 23' ' ' LEU . 82.3 t -72.2 -42.19 66.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.433 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 41.3 p -72.59 -24.73 61.13 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.38 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -72.85 -41.74 64.48 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.104 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.42 -24.31 57.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.499 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.423 HD21 ' OD2' ' B' ' 11' ' ' ASP . 4.1 tt -65.77 -51.81 56.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.33 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.1 -31.69 68.11 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.792 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -65.67 -40.34 92.3 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.016 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 52.0 tp -77.73 -24.41 49.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.656 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 35' ' ' ALA . . . . . 0.517 ' HA ' ' NZ ' ' B' ' 15' ' ' LYS . . . -55.21 -44.38 75.3 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.386 0.513 . . . . 10.0 112.386 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.341 . . -98.6 25.86 6.08 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 114.776 1.399 . . . . 10.0 114.776 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -148.86 99.73 3.5 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.735 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.09 -73.51 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.56 0 C-N-CA 124.163 3.242 . . . . 10.0 113.893 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 39' ' ' SER . . . . . 0.83 ' HB3' ' HE2' ' A' ' 68' ' ' PHE . 51.1 m -92.25 124.12 36.09 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.614 ' HB3' ' HB2' ' D' ' 43' ' ' LEU . 7.0 m-20 -138.4 115.32 9.08 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 114.352 1.241 . . . . 10.0 114.352 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.56 -48.24 0.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.63 2.22 . . . . 10.0 111.311 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.47 -42.55 22.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.227 -1.351 . . . . 10.0 113.55 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.614 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.1 mm? -67.66 -38.72 84.17 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.0 OUTLIER -69.08 -30.87 69.27 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.923 0.392 . . . . 10.0 110.3 178.484 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.12 -50.93 68.54 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.902 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.74 -38.2 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.259 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -65.43 -33.91 77.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.256 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -69.25 -44.85 71.11 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.823 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.0 m -72.15 -39.99 68.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 10.0 112.204 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -70.6 -26.75 63.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.587 0.588 . . . . 10.0 112.587 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mt -73.27 -35.37 66.16 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 52' ' ' SER . . . . . 0.514 ' O ' ' HB3' ' D' ' 55' ' ' ASN . 50.0 m -74.37 -28.31 61.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.474 -0.784 . . . . 10.0 110.572 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -66.19 -37.6 85.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.753 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -74.54 -29.08 61.24 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 55' ' ' ASN . . . . . 0.514 ' HB3' ' O ' ' D' ' 52' ' ' SER . 22.5 t-20 -60.4 -46.46 89.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.866 -1.061 . . . . 10.0 110.665 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.0 mm? -74.58 -28.26 60.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.688 0.996 . . . . 10.0 113.688 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 57' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' D' ' 61' ' ' GLN . 14.6 t80 -60.96 -40.36 93.07 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -83.41 -33.92 25.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.663 -0.699 . . . . 10.0 112.607 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -70.18 -53.38 17.37 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.28 83.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 61' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' D' ' 57' ' ' TYR . 55.3 tt0 -62.8 -48.55 78.62 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.676 0.274 . . . . 10.0 111.453 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -69.99 -23.73 63.2 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.233 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.44 -41.32 66.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.649 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 5.8 m -64.93 -38.34 90.65 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.738 0.304 . . . . 10.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.57 -32.39 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.099 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 tptp . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.677 179.833 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 84.8 t90 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.769 0.318 . . . . 10.0 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -141.73 144.89 34.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.89 0.376 . . . . 10.0 111.331 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.8 162.05 26.67 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.444 -0.662 . . . . 10.0 111.444 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -66.92 -32.42 73.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.424 0.631 . . . . 10.0 109.59 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.5 tp -74.99 -34.63 61.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.806 -1.088 . . . . 10.0 110.418 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.58 -27.87 63.43 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.104 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.54 -36.5 71.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.496 -0.774 . . . . 10.0 110.37 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.731 HG11 HG21 ' A' ' 64' ' ' THR . 81.6 t -68.01 -36.42 75.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.412 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.2 m -70.3 -36.37 74.3 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.231 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.09 57.27 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.077 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -65.56 -49.35 69.19 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.566 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.536 ' O ' HG22 ' A' ' 20' ' ' VAL . 20.5 m-85 -71.9 -27.38 62.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.474 -0.784 . . . . 10.0 110.909 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.55 -51.27 63.7 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.687 0.625 . . . . 10.0 112.687 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -70.47 -23.85 62.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.078 0.466 . . . . 10.0 109.878 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.2 -44.62 65.22 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.825 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 28.8 m -111.45 31.56 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.74 -56.23 24.48 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -84.96 -9.3 58.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.894 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.537 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.2 tm? -71.09 -41.57 70.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.63 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 15.1 mm100 -61.56 -41.43 97.36 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.762 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 m -66.96 -30.48 70.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.874 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -73.69 -25.01 60.03 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.367 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 23' ' ' LEU . 50.9 t -69.26 -47.35 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.904 0.383 . . . . 10.0 110.32 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.5 p -69.3 -34.29 74.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.341 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -68.0 -40.69 82.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.392 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.44 -24.3 61.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.278 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 tp -72.9 -38.95 66.74 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.912 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.02 -34.26 73.06 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.874 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -71.35 -35.31 71.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.649 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -71.19 -31.93 68.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.905 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.64 61.36 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.36 3.38 51.1 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.768 0.284 . . . . 10.0 111.768 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 43.2 mmtm -123.13 134.35 25.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.274 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 24.0 Cg_exo -65.61 -67.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.905 2.403 . . . . 10.0 112.13 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 p -137.24 124.88 22.28 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.883 0.373 . . . . 10.0 111.456 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' HB2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -137.91 113.26 9.06 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.782 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.59 -31.7 59.62 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.561 2.174 . . . . 10.0 112.505 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 -48.17 19.6 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.445 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . 3.7 mm? -71.81 -25.77 62.13 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.64 0.607 . . . . 10.0 112.64 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 tp -71.1 -41.01 71.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.858 0.361 . . . . 10.0 110.435 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -31.59 62.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.877 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.05 -46.64 61.65 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.152 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -67.59 -33.86 75.87 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.194 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -65.67 -44.66 85.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.185 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 44.5 t -71.72 -41.49 68.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.657 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 36.6 mmtm -70.04 -28.24 65.31 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 tp -75.22 -31.21 60.81 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.001 0.429 . . . . 10.0 109.963 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.2 m -73.26 -35.39 66.19 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.017 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.469 ' CD ' ' HB3' ' C' ' 38' ' ' PRO . 44.5 mt-10 -67.52 -36.88 81.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.003 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -63.78 -38.06 89.68 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.713 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -63.89 -40.71 97.15 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.213 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.4 mm? -65.72 -30.72 71.43 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.788 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -50.85 64.94 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.632 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -76.91 -28.54 55.35 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.464 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -72.3 -43.3 64.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.806 -0.179 . . . . 10.0 111.253 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.55 79.21 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 120.741 0.305 . . . . 10.0 110.645 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -72.68 -40.34 66.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.451 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.5 p -71.06 -27.52 63.7 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.518 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -75.31 -31.76 60.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.854 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.731 HG21 HG11 ' A' ' 12' ' ' VAL . 3.7 m -69.56 -49.37 54.91 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.323 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.22 -35.35 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.913 0.338 . . . . 10.0 111.913 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -71.07 -48.32 53.25 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.915 0.709 . . . . 10.0 112.915 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 71' ' ' ILE . 11.2 t -77.85 -42.37 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.646 ' CZ ' ' HD3' ' D' ' 41' ' ' PRO . 76.1 t80 -59.54 -34.23 72.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.353 . . . . 10.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 69' ' ' LYS . 2.4 tppt? -73.86 -34.43 64.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.57 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -59.16 -34.76 72.48 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.733 0.301 . . . . 10.0 111.163 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.557 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.4 mt -70.69 -49.01 54.62 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.841 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.573 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 2.2 t70 -57.04 -35.87 69.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.807 -1.088 . . . . 10.0 112.263 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.48 -21.63 41.8 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -49.52 26.54 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.694 0.283 . . . . 10.0 111.71 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 71' ' ' ILE . 3.3 mt -67.85 -35.94 74.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 121.699 0.761 . . . . 10.0 109.389 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.738 ' HA ' ' HD2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -61.42 -34.35 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 114.497 -1.228 . . . . 10.0 111.835 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -83.89 -15.07 49.42 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.212 0.53 . . . . 10.0 110.028 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -84.3 -8.66 58.95 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.411 -0.813 . . . . 10.0 109.529 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.738 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 1.7 m-85 -55.24 -84.54 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.944 -1.026 . . . . 10.0 109.552 177.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.218 -0.896 . . . . 10.0 111.156 179.295 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.327 -0.309 . . . . 10.0 112.327 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -67.39 -43.66 80.82 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.885 0.328 . . . . 10.0 111.885 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.462 ' O ' HG12 ' B' ' 12' ' ' VAL . 0.9 OUTLIER -74.98 -28.08 60.41 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.835 0.35 . . . . 10.0 110.839 179.207 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -72.86 -32.82 65.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.701 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 32.4 t70 -70.14 -44.03 69.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.441 -0.799 . . . . 10.0 110.698 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.529 HG23 HD11 ' D' ' 31' ' ' LEU . 2.8 p -61.58 -33.33 56.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.819 0.342 . . . . 10.0 111.784 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -69.49 -31.68 70.11 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.87 -25.68 56.38 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.362 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' B' ' 12' ' ' VAL . 13.1 mmmt -67.77 -45.29 75.3 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.651 -0.499 . . . . 10.0 109.651 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.403 ' HE1' ' CD2' ' D' ' 34' ' ' LEU . 24.8 m-85 -70.66 -28.98 65.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.888 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.58 -53.8 25.23 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 114.406 1.262 . . . . 10.0 114.406 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -71.06 -26.24 62.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.078 0.466 . . . . 10.0 111.212 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.98 -38.13 36.47 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.796 -0.638 . . . . 10.0 113.802 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.795 HG13 HD23 ' B' ' 23' ' ' LEU . 2.5 t -109.86 30.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.319 0.581 . . . . 10.0 110.401 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.48 -51.44 29.06 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.385 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -78.91 -22.09 46.37 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.144 0.424 . . . . 10.0 112.144 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.795 HD23 HG13 ' B' ' 20' ' ' VAL . 17.9 tp -69.2 -33.7 73.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.565 -0.288 . . . . 10.0 111.206 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' B' ' 20' ' ' VAL . 16.3 mm100 -62.02 -40.43 95.68 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.908 0.385 . . . . 10.0 111.336 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.4 m -70.25 -29.41 66.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.392 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.74 -25.5 62.95 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.062 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 23' ' ' LEU . 48.7 t -70.46 -48.47 59.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.216 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 30.8 p -67.26 -32.71 73.9 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.164 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -70.97 -39.04 72.77 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.1 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.35 60.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.174 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 tp -71.52 -39.6 70.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.553 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -70.43 -35.0 73.11 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.686 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -71.41 -30.03 65.6 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.839 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.58 -36.99 71.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.323 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.88 -17.4 59.8 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.817 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.98 2.49 53.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.761 0.315 . . . . 10.0 111.537 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -128.51 142.09 43.65 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.85 -58.23 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.752 2.301 . . . . 10.0 111.557 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 39.5 p -151.19 125.98 9.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.932 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.448 ' CG ' ' HB2' ' B' ' 43' ' ' LEU . 1.2 p30 -136.56 112.93 10.03 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 112.111 0.411 . . . . 10.0 112.111 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.95 -29.32 66.83 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.684 2.256 . . . . 10.0 112.318 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.61 -49.6 15.87 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' CG ' ' B' ' 40' ' ' ASP . 4.0 mm? -72.35 -21.86 61.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 tp -72.76 -42.55 63.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.928 0.394 . . . . 10.0 110.258 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.03 63.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.632 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.76 60.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.914 -0.584 . . . . 10.0 111.105 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -67.24 -33.41 75.28 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.756 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.78 -41.09 96.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.907 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 40.2 t -76.3 -39.63 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.672 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.549 ' HD2' ' CD1' ' B' ' 23' ' ' LEU . 41.0 mmtm -72.5 -34.73 67.84 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 113.035 0.754 . . . . 10.0 113.035 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 52.4 tp -71.84 -33.86 68.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.281 0.562 . . . . 10.0 109.567 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.1 m -72.51 -29.53 63.69 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.241 -0.891 . . . . 10.0 110.66 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' B' ' 49' ' ' SER . 40.9 mt-10 -72.02 -35.96 69.55 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.106 178.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -62.76 -36.57 83.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.487 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.73 -35.34 80.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.865 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -28.29 67.4 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.602 -0.727 . . . . 10.0 111.303 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' B' ' 58' ' ' ARG . 0.2 OUTLIER -71.95 -49.51 36.83 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.627 -0.26 . . . . 10.0 111.526 179.704 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.4 ' HG2' ' CE2' ' B' ' 57' ' ' TYR . 0.5 OUTLIER -74.02 -16.84 61.04 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.336 0.495 . . . . 10.0 112.336 -179.271 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -79.14 -58.58 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.274 0.842 . . . . 10.0 113.274 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.38 -33.65 74.03 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.424 0.154 . . . . 10.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.403 ' O ' HG23 ' B' ' 65' ' ' VAL . 32.8 tt0 -67.13 -43.37 82.58 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-O 120.853 0.358 . . . . 10.0 110.369 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -71.25 -31.68 67.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.836 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.443 ' O ' HG23 ' B' ' 67' ' ' VAL . 84.1 m-20 -72.23 -39.58 68.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.772 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 7.6 p -68.63 -38.77 80.78 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.685 0.254 . . . . 10.0 111.685 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 61' ' ' GLN . 65.5 t -62.84 -35.21 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.051 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.97 -49.09 26.11 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.578 ' O ' HG13 ' B' ' 71' ' ' ILE . 15.0 t -68.32 -46.45 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' PHE . . . . . 0.646 ' HA ' HD12 ' B' ' 71' ' ' ILE . 83.0 t80 -61.63 -32.52 72.66 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -69.79 -34.93 74.4 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.748 -0.205 . . . . 10.0 111.521 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.61 -26.48 64.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.475 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' B' ' 68' ' ' PHE . 46.3 mt -70.17 -50.62 45.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.45 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.53 -33.59 76.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.755 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.72 62.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.318 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.92 75.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.947 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 10.1 mt -66.27 -41.68 89.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.792 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.637 ' HA ' ' HD2' ' B' ' 79' ' ' PHE . 94.2 mt -61.88 -35.92 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.237 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -78.37 -20.89 50.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.313 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -87.7 -7.35 57.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.142 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' PHE . . . . . 0.637 ' HD2' ' HA ' ' B' ' 76' ' ' ILE . 2.2 m-85 . . . . . 0 C--O 1.232 0.173 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.352 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 48.5 t90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.967 0.413 . . . . 10.0 111.475 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -153.73 119.66 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.772 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.6 -173.18 14.15 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.807 -0.711 . . . . 10.0 112.672 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' TYR . . . . . 0.418 ' O ' HG23 ' C' ' 12' ' ' VAL . 85.0 m-85 -66.82 -40.46 88.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.826 0.346 . . . . 10.0 111.395 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 37.3 tp -70.8 -35.99 72.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.195 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.92 -29.2 69.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.576 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.05 -36.25 66.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.936 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.798 HG11 HG21 ' C' ' 64' ' ' THR . 46.7 t -69.93 -37.44 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.878 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -68.73 -38.7 80.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.495 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.78 -23.11 58.46 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.959 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -43.4 87.14 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.437 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.505 ' O ' HG22 ' C' ' 20' ' ' VAL . 30.1 m-85 -76.9 -28.43 55.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.628 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.5 -45.64 89.76 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.01 -0.541 . . . . 10.0 112.061 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -72.38 -27.05 62.14 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.794 0.33 . . . . 10.0 111.287 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.9 -41.5 72.3 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.516 ' O ' ' HG2' ' C' ' 24' ' ' GLN . 27.5 m -108.8 31.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.31 -55.03 40.04 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.119 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -91.89 -7.03 50.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.887 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.533 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.3 tm? -71.04 -40.76 71.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.114 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.58 HE22 ' HE1' ' C' ' 54' ' ' TYR . 15.7 mm100 -61.95 -39.63 92.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.169 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 4.7 m -68.56 -31.6 70.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -73.83 -25.66 60.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.309 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.533 HG23 ' O ' ' C' ' 23' ' ' LEU . 92.9 t -67.39 -48.15 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 120.848 0.356 . . . . 10.0 110.212 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 24.0 p -69.08 -32.92 72.72 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.395 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -68.74 -43.77 75.18 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.647 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.75 -24.3 61.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.894 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 51.5 tp -72.53 -40.37 66.82 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.893 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.45 -30.66 68.62 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.591 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 64.1 mttp -71.38 -45.11 63.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.329 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -70.01 -29.07 66.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.798 0.333 . . . . 10.0 111.016 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.09 -36.89 83.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 10.0 112.135 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.49 25.18 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 1.1 mptp? -125.24 120.96 25.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.335 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.469 ' HB3' ' CD ' ' A' ' 53' ' ' GLU . 95.1 Cg_exo -48.67 -71.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.653 2.902 . . . . 10.0 113.51 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 77.4 p -148.07 124.81 11.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.03 0.443 . . . . 10.0 112.029 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.426 ' HA ' ' HD2' ' C' ' 41' ' ' PRO . 0.5 OUTLIER -137.64 111.7 8.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.794 179.548 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 41' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 29.5 Cg_endo -64.28 -28.71 63.84 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.519 2.146 . . . . 10.0 112.541 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.88 -47.96 19.7 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.068 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.71 -24.48 61.0 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -69.52 -41.9 75.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.789 0.328 . . . . 10.0 110.431 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.07 -29.55 61.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.674 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.74 57.56 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.272 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -67.36 -34.0 76.4 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.276 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.56 -42.06 87.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.953 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -74.45 -38.86 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.859 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 37.4 mmtm -74.11 -26.51 60.38 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.05 -35.86 61.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.806 0.336 . . . . 10.0 110.571 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 12.1 p -74.51 -30.09 61.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.301 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.5 -36.49 84.37 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 54' ' ' TYR . . . . . 0.58 ' HE1' HE22 ' C' ' 24' ' ' GLN . 47.0 t80 -67.8 -37.49 82.06 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.449 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.17 -48.26 82.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.287 -0.87 . . . . 10.0 111.297 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.3 mm? -67.75 -27.76 67.06 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -53.08 61.88 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.628 0.251 . . . . 10.0 111.502 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.648 ' CZ ' ' HB1' ' D' ' 45' ' ' ALA . 0.0 OUTLIER -86.53 -15.56 39.63 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.737 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -78.27 -34.1 49.14 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.99 58.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.266 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -71.97 -35.62 69.59 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.637 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 77.7 p -71.26 -28.65 64.31 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.04 0.448 . . . . 10.0 110.588 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -77.45 -33.22 54.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.648 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 64' ' ' THR . . . . . 0.798 HG21 HG11 ' C' ' 12' ' ' VAL . 82.0 m -69.98 -43.78 70.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.628 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.91 -33.99 65.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.196 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -75.31 -45.94 36.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.54 -49.72 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.3 -37.95 76.07 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.865 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 10.7 mmpt? -72.19 -34.31 68.32 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -61.65 -35.71 78.72 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.816 0.341 . . . . 10.0 110.589 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 45.9 mt -73.32 -41.73 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.233 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -66.48 -34.78 78.7 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.476 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.26 -21.52 46.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.382 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.62 -43.74 46.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.742 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 52.6 mt -73.59 -41.52 55.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 tp -62.64 -30.73 49.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.384 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -85.05 -20.85 29.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.385 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 N--CA 1.463 0.215 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.583 178.842 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.726 0.298 . . . . 10.0 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.64 58.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.112 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -67.04 -44.88 79.08 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.587 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.533 ' O ' HG22 ' D' ' 20' ' ' VAL . 30.9 m-85 -77.93 -30.06 50.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.319 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.9 -50.76 65.27 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.876 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.6 m -73.18 -24.03 60.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.069 0.462 . . . . 10.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.31 -41.94 76.71 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.82 -0.627 . . . . 10.0 113.137 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.533 HG22 ' O ' ' D' ' 16' ' ' PHE . 34.3 m -111.24 32.4 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.965 0.412 . . . . 10.0 111.242 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.3 -50.74 72.56 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.802 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -88.35 -9.76 51.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.421 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.458 HD13 HG12 ' D' ' 20' ' ' VAL . 1.5 tt -71.47 -40.41 70.29 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.203 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 24' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' D' ' 20' ' ' VAL . 12.3 mm100 -61.86 -37.09 83.21 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.028 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -71.35 -29.31 64.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.669 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -75.82 -26.34 57.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.514 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.455 HG23 ' O ' ' D' ' 23' ' ' LEU . 88.5 t -70.76 -43.32 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.784 0.326 . . . . 10.0 110.512 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -71.97 -32.51 67.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.185 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -71.56 -37.07 71.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.477 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.24 -28.24 63.03 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.221 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.529 HD11 HG23 ' B' ' 12' ' ' VAL . 20.4 tp -73.32 -37.48 66.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.08 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -70.69 -32.24 69.41 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.261 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -70.83 -40.62 72.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.054 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' D' ' 37' ' ' LYS . 5.4 tt -72.13 -23.94 61.39 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.99 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.98 -52.56 14.4 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.92 17.18 24.64 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 37' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' D' ' 37' ' ' LYS . 39.5 mmtm -116.03 106.28 49.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.794 -1.187 . . . . 10.0 107.794 177.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -65.35 -77.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.766 2.311 . . . . 10.0 113.647 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -97.2 122.02 39.75 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.765 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.0 OUTLIER -140.29 115.98 7.79 Favored Pre-proline 0 C--O 1.219 -0.518 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -178.247 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 37.1 Cg_endo -68.3 -45.29 2.8 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.892 2.395 . . . . 10.0 111.68 177.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.75 -55.92 4.93 Favored 'General case' 0 C--O 1.227 -0.082 0 CA-C-N 115.178 -0.919 . . . . 10.0 113.058 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.445 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 2.7 mm? -60.29 -33.12 71.9 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.88 1.067 . . . . 10.0 113.88 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.765 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -73.74 -37.21 65.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 10.0 110.792 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 45' ' ' ALA . . . . . 0.648 ' HB1' ' CZ ' ' C' ' 58' ' ' ARG . . . -74.75 -37.77 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.802 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.95 -45.26 82.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.533 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 47' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 42.0 t80 -67.75 -33.21 74.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.097 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -47.97 78.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.547 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -72.23 -41.4 66.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 10.0 112.33 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 50' ' ' LYS . . . . . 0.435 ' HA ' ' HG2' ' D' ' 53' ' ' GLU . 29.9 mmtm -70.9 -25.7 62.9 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 13.4 tp -75.12 -39.23 60.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.688 0.28 . . . . 10.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 52' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' D' ' 55' ' ' ASN . 12.9 p -74.65 -34.31 62.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 53' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' D' ' 50' ' ' LYS . 8.1 pt-20 -70.24 -34.75 73.24 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.706 -0.398 . . . . 10.0 110.311 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.78 -34.08 73.95 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 177.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 55' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' D' ' 52' ' ' SER . 11.4 t30 -61.78 -45.74 92.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.917 -1.038 . . . . 10.0 111.695 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' D' ' 56' ' ' LEU . 0.5 OUTLIER -68.79 -26.98 65.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 57' ' ' TYR . . . . . 0.514 ' HD1' ' HB3' ' D' ' 16' ' ' PHE . 3.7 t80 -58.28 -46.22 86.47 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.17 -27.91 25.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.769 -0.651 . . . . 10.0 112.654 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 59' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' D' ' 56' ' ' LEU . 6.7 m-20 -73.21 -49.58 27.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.625 0.25 . . . . 10.0 111.438 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.72 -34.05 76.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.197 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 61' ' ' GLN . . . . . 0.419 ' O ' HG23 ' D' ' 65' ' ' VAL . 33.8 tt0 -69.08 -41.22 77.83 Favored 'General case' 0 CA--C 1.527 0.087 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.578 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 92.6 p -71.7 -30.62 65.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.995 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.14 -40.24 78.37 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.42 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 2.4 p -67.66 -37.51 82.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.629 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 65' ' ' VAL . . . . . 0.419 HG23 ' O ' ' D' ' 61' ' ' GLN . 77.2 t -63.59 -36.66 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.022 0.439 . . . . 10.0 110.119 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.4 tptp . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.709 -179.906 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 86.4 t90 . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -148.33 153.08 38.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.044 0.45 . . . . 10.0 111.916 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 -179.32 40.58 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.592 -0.731 . . . . 10.0 111.522 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.419 ' O ' HG23 ' A' ' 12' ' ' VAL . 86.6 m-85 -67.31 -31.29 71.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.891 0.346 . . . . 10.0 110.478 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.68 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -70.61 -31.97 69.14 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.949 179.033 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.411 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 34.1 t70 -72.61 -29.41 63.46 Favored 'General case' 0 C--O 1.23 0.047 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.659 178.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 32.9 t70 -74.54 -35.99 63.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.207 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 8' ' ' TYR . 71.2 t -70.12 -40.87 78.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.706 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 p -69.48 -38.1 77.53 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.8 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.74 -23.33 56.03 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.222 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 1.3 tpmt? -64.17 -49.77 70.77 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.598 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' O ' HG22 ' A' ' 20' ' ' VAL . 39.0 m-85 -73.65 -28.35 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.593 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.0 -45.22 89.95 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 112.721 0.638 . . . . 10.0 112.721 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -75.12 -27.26 59.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.715 0.293 . . . . 10.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.73 -36.65 83.08 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.179 -0.534 . . . . 10.0 111.96 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 16' ' ' PHE . 33.3 m -118.44 33.33 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.64 -56.71 16.82 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -81.44 -5.28 57.75 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.348 0.594 . . . . 10.0 110.558 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.52 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.1 tm? -70.17 -38.19 75.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.069 -0.968 . . . . 10.0 111.018 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -62.25 -35.73 79.86 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.754 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -69.78 -34.59 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.591 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.48 -35.48 77.6 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.845 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 23' ' ' LEU . 40.7 t -63.82 -45.33 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.761 0.315 . . . . 10.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 p -71.73 -32.26 67.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.952 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -68.01 -42.82 80.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.83 0.348 . . . . 10.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.8 -24.51 61.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.553 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.19 -41.57 73.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.114 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -70.97 -31.27 67.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.753 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 2.3 mptm? -68.02 -35.52 78.41 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.925 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -25.94 60.44 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.943 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.16 -27.87 66.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.3 4.46 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.956 0.354 . . . . 10.0 111.956 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 13.3 mptt -115.05 125.16 29.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.676 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 17.3 Cg_exo -68.09 -66.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.725 2.284 . . . . 10.0 111.5 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.1 m -126.91 124.34 39.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.634 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.678 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -137.44 95.67 11.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.532 . . . . 10.0 111.252 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 31.9 Cg_endo -64.07 -37.71 41.09 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.739 2.293 . . . . 10.0 112.68 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.69 -42.22 51.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.919 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.678 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.8 mm? -72.48 -28.21 62.76 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.99 -33.8 63.96 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.669 0.271 . . . . 10.0 111.066 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.73 -37.29 70.61 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.369 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.92 67.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.17 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -69.74 -36.44 75.84 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.884 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -65.06 -43.25 92.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.477 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.575 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 42.7 t -71.4 -40.19 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.333 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 23' ' ' LEU . 40.3 mmtm -75.46 -22.84 56.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.6 tp -73.81 -42.33 61.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.931 0.396 . . . . 10.0 110.362 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -69.21 -29.1 66.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.693 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.843 ' HG2' ' HA ' ' C' ' 38' ' ' PRO . 54.2 mt-10 -65.95 -38.47 88.71 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.247 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -67.02 -36.49 82.23 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.649 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -66.1 -45.37 81.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.284 -0.871 . . . . 10.0 110.343 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.02 -28.06 67.08 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.561 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -67.92 -49.17 63.45 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.267 -0.272 . . . . 10.0 110.267 178.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.625 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -74.72 -36.68 62.67 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -179.439 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 86.7 m-20 -70.51 -45.0 66.45 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.505 0.557 . . . . 10.0 112.505 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.53 64.64 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.83 0.307 . . . . 10.0 111.83 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 48.7 tt0 -68.58 -49.51 58.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.9 p -71.18 -23.97 62.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.97 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 2.5 t-20 -71.65 -45.27 62.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.302 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -70.03 -38.82 75.97 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.48 -46.43 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.743 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -42.74 96.7 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 71' ' ' ILE . 19.5 t -73.14 -46.78 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 114.606 1.336 . . . . 10.0 114.606 -178.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.68 ' CZ ' ' HB3' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -59.63 -22.76 62.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.423 -0.511 . . . . 10.0 110.391 179.406 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -73.05 -39.02 66.26 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.476 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -67.09 -34.53 77.84 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.951 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 68' ' ' PHE . 12.2 mt -65.01 -45.03 95.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 108.139 -1.059 . . . . 10.0 108.139 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -62.09 -37.06 83.61 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.773 -1.558 . . . . 10.0 112.302 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.51 -28.56 61.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.583 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.85 -48.34 38.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.069 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.642 HG23 ' OE1' ' D' ' 48' ' ' GLN . 6.9 mt -57.87 -37.69 61.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.148 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mt -60.46 -42.97 93.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.835 -1.075 . . . . 10.0 111.28 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -73.07 -28.31 62.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.59 -0.732 . . . . 10.0 112.5 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -69.15 -23.57 63.98 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.34 -0.985 . . . . 10.0 108.34 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.674 ' HB2' ' HG3' ' D' ' 48' ' ' GLN . 20.0 t80 -91.5 117.7 29.93 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.191 -0.913 . . . . 10.0 109.511 178.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.541 ' HG2' ' NZ ' ' C' ' 66' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.462 -0.78 . . . . 10.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.388 -0.285 . . . . 10.0 112.388 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.415 ' O ' HG23 ' B' ' 12' ' ' VAL . 82.5 m-85 -67.16 -36.23 81.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.658 0.266 . . . . 10.0 111.299 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.61 ' H ' HD23 ' B' ' 9' ' ' LEU . 1.4 pt? -73.15 -33.72 65.66 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.803 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.12 -31.24 67.5 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.846 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' B' ' 15' ' ' LYS . 38.1 t70 -70.37 -36.37 74.1 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.529 -0.759 . . . . 10.0 110.337 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 8' ' ' TYR . 86.1 t -71.22 -32.81 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.554 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' SER . . . . . 0.606 ' HA ' HE21 ' B' ' 61' ' ' GLN . 58.8 m -67.15 -46.41 74.14 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.213 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.76 -22.38 56.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.26 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -58.31 -54.99 40.73 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.172 -179.531 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.68 ' HE1' HD22 ' D' ' 34' ' ' LEU . 52.1 m-85 -77.41 -27.99 52.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.358 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.91 -52.2 52.02 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 114.073 1.138 . . . . 10.0 114.073 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 14.0 m -62.96 -23.66 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.31 0.576 . . . . 10.0 110.478 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.77 -43.95 16.6 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.576 -0.738 . . . . 10.0 114.595 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.542 HG22 ' O ' ' B' ' 16' ' ' PHE . 29.5 m -108.59 27.87 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.189 0.518 . . . . 10.0 110.955 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.35 -50.17 72.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.412 -0.813 . . . . 10.0 112.586 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -76.72 -23.78 53.08 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.616 ' O ' HG23 ' B' ' 27' ' ' VAL 0.284 3.3 pp -71.96 -21.45 61.59 Favored 'General case' 0 C--O 1.226 -0.14 0 N-CA-C 113.138 0.792 . . . . 10.0 113.138 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.98 -37.81 88.61 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -73.6 -30.86 63.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.846 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.34 -31.23 69.54 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.96 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 23' ' ' LEU . 60.2 t -67.96 -48.01 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 CA-C-O 120.816 0.341 . . . . 10.0 110.395 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -67.96 -29.39 68.43 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.607 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -71.9 -43.5 65.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.911 0.386 . . . . 10.0 110.436 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.01 -24.25 61.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.491 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.47 -43.26 77.35 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.854 -0.425 . . . . 10.0 109.854 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.86 -31.14 67.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.398 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -66.62 -33.35 75.47 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.878 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.14 -31.7 69.35 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.536 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.87 -15.55 60.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.832 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.96 0.11 19.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.75 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.3 mmtm -124.04 128.57 25.04 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.4 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 21.8 Cg_exo -66.8 -61.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.771 2.314 . . . . 10.0 110.89 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.9 m -131.41 124.39 30.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.855 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.691 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -136.84 91.05 15.66 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.686 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.1 -35.7 51.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.574 2.183 . . . . 10.0 112.692 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.25 -42.58 54.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.628 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.691 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.0 mm? -72.63 -23.6 60.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.933 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.2 tp -74.53 -33.63 62.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.563 -0.289 . . . . 10.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.05 -35.41 66.72 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.507 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.72 66.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.861 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -72.43 -36.27 68.54 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.601 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.12 -47.83 75.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.73 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 45.3 t -67.63 -38.82 84.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.427 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' B' ' 53' ' ' GLU . 42.9 mmtm -80.35 -22.77 41.09 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 40.1 tp -69.17 -44.93 71.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.336 0.589 . . . . 10.0 109.455 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.0 p -71.92 -27.59 62.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.091 -0.958 . . . . 10.0 110.288 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 50' ' ' LYS . 19.8 mt-10 -64.7 -36.58 84.76 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.931 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.01 -38.64 91.61 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -67.4 -33.13 74.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.111 -0.95 . . . . 10.0 109.56 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -63.59 -35.7 81.38 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.79 179.389 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 57' ' ' TYR . . . . . 0.573 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 0.4 OUTLIER -70.49 -46.44 63.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.595 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' B' ' 58' ' ' ARG . 0.4 OUTLIER -75.61 -38.86 58.68 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -178.563 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -70.92 -53.2 15.89 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.88 71.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.536 0.198 . . . . 10.0 111.536 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.606 HE21 ' HA ' ' B' ' 13' ' ' SER . 40.3 tt0 -67.55 -45.11 76.6 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.572 -0.285 . . . . 10.0 110.973 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 54.2 p -70.6 -23.1 62.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.71 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.488 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 26.0 m-20 -73.54 -49.45 26.42 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 116.632 -0.258 . . . . 10.0 111.028 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 8.5 p -69.93 -42.26 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.302 0.852 . . . . 10.0 113.302 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.61 -41.46 90.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 112.009 0.374 . . . . 10.0 112.009 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -70.71 -33.73 71.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.609 ' O ' HG13 ' B' ' 71' ' ' ILE . 78.4 t -71.42 -52.67 24.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 112.565 0.579 . . . . 10.0 112.565 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' PHE . . . . . 0.739 ' HA ' HD12 ' B' ' 71' ' ' ILE . 0.0 OUTLIER -58.7 -28.47 65.83 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 123.195 0.309 . . . . 10.0 111.142 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -67.88 -39.66 83.67 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.523 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.462 ' HB2' HH22 ' A' ' 80' ' ' ARG . 53.8 m-20 -76.99 -26.2 53.6 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.321 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' B' ' 68' ' ' PHE . 58.4 mt -68.22 -44.48 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.092 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -69.46 -35.73 75.91 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.793 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.36 71.08 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.483 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.04 -37.81 64.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.904 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 50.5 mt -66.56 -36.11 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.808 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.39 -35.74 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.704 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -72.56 -33.84 67.07 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.061 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -71.6 -25.3 62.11 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.784 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.032 178.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 65.9 t90 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.031 0.443 . . . . 10.0 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -146.71 152.92 39.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.655 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.27 -168.84 34.99 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.718 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -67.01 -37.57 84.41 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 111.751 0.278 . . . . 10.0 111.751 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' C' ' 68' ' ' PHE . 0.8 OUTLIER -72.05 -30.17 64.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.617 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.34 -28.47 63.07 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.486 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.37 -35.92 63.55 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.674 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.84 -41.1 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.059 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 39.1 p -70.02 -38.48 75.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.101 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.01 -23.0 58.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.783 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -64.46 -47.48 78.86 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.016 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.621 ' O ' HG22 ' C' ' 20' ' ' VAL . 37.7 m-85 -75.69 -28.67 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.785 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.61 -43.64 96.31 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -73.28 -28.63 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.885 0.374 . . . . 10.0 111.121 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.86 -37.76 56.76 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.382 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.621 HG22 ' O ' ' C' ' 16' ' ' PHE . 32.9 m -110.13 31.58 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.09 -57.09 13.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.501 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -87.89 -1.71 58.15 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.169 0.509 . . . . 10.0 110.593 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.545 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.1 tm? -71.06 -40.74 71.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.93 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.94 -31.9 73.09 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.573 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.1 m -72.86 -32.72 65.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -72.37 -34.03 67.67 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.614 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.449 HG23 ' O ' ' C' ' 23' ' ' LEU . 57.6 t -65.77 -43.64 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.832 0.349 . . . . 10.0 111.059 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -73.22 -31.06 63.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.543 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLU . . . . . 0.449 ' O ' ' HD3' ' C' ' 33' ' ' LYS . 26.6 tt0 -68.12 -42.24 80.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.565 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.82 61.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.257 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 tp -71.62 -42.03 68.16 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.209 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.65 -31.09 67.89 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.683 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' C' ' 37' ' ' LYS . 2.3 mptm? -66.46 -42.91 86.88 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.646 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 48.4 tp -75.34 -25.04 57.45 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.38 -37.77 26.16 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.455 0.909 . . . . 10.0 113.455 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.47 22.31 5.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' C' ' 33' ' ' LYS . 4.1 mptp? -106.6 116.72 58.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.583 0.23 . . . . 10.0 111.6 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.843 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 49.8 Cg_exo -40.77 -73.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.501 3.467 . . . . 10.0 114.082 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 39' ' ' SER . . . . . 0.425 ' H ' ' HB2' ' C' ' 38' ' ' PRO . 3.7 p -150.07 125.41 10.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.903 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.678 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.1 OUTLIER -131.46 98.76 17.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.204 -179.625 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.07 -34.36 58.48 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.921 2.414 . . . . 10.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.2 -41.84 48.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.431 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.678 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.9 mm? -72.48 -26.01 61.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.13 -0.486 . . . . 10.0 112.075 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.49 -34.25 63.04 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.687 0.279 . . . . 10.0 110.721 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -37.96 68.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.191 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.97 -33.93 66.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.124 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -68.83 -40.73 79.29 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.323 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -65.06 -41.91 94.71 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 123.511 0.507 . . . . 10.0 112.125 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.4 t -67.38 -45.88 74.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -76.33 -17.39 59.44 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.119 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -43.21 57.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.791 0.329 . . . . 10.0 110.66 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -71.82 -28.56 63.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.067 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.67 -37.16 83.06 Favored 'General case' 0 N--CA 1.461 0.082 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -68.64 -38.4 80.45 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -55.07 33.03 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.057 -0.974 . . . . 10.0 111.283 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.1 mm? -65.7 -28.01 68.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 10.0 112.214 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 57' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' C' ' 58' ' ' ARG . 0.6 OUTLIER -64.39 -50.98 65.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.591 0.234 . . . . 10.0 111.056 179.13 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.466 ' HE ' ' HA ' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -79.79 -29.98 40.48 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.059 0.762 . . . . 10.0 113.059 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -72.81 -41.51 64.82 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.68 -32.36 57.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.145 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.557 ' O ' HG23 ' C' ' 65' ' ' VAL . 9.0 tt0 -64.46 -47.11 80.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.971 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 62' ' ' SER . . . . . 0.487 ' HB2' ' OE1' ' D' ' 48' ' ' GLN . 79.9 p -70.9 -27.26 63.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.605 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -48.38 66.81 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.021 0.438 . . . . 10.0 110.723 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 64' ' ' THR . . . . . 0.603 ' O ' ' HB3' ' C' ' 68' ' ' PHE . 12.9 m -66.43 -37.61 85.56 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.699 -0.682 . . . . 10.0 111.741 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.764 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 90.9 t -65.06 -63.28 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 66' ' ' LYS . . . . . 0.541 ' NZ ' ' HG2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -63.22 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.291 1.219 . . . . 10.0 114.291 -177.649 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.57 -36.33 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 68' ' ' PHE . . . . . 0.603 ' HB3' ' O ' ' C' ' 64' ' ' THR . 0.0 OUTLIER -70.33 -21.47 62.91 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.992 0.425 . . . . 10.0 109.882 178.117 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.764 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 66.1 mmtt -70.98 -36.06 72.35 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.307 178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -66.81 -32.24 73.39 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.681 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 71' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' C' ' 68' ' ' PHE . 55.2 mt -67.32 -44.99 86.9 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.261 178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.32 -31.77 70.44 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.426 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.89 -29.64 65.78 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.26 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.69 -35.53 60.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.83 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.96 -42.97 89.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.251 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pp -72.82 -22.36 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.532 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -76.53 -31.28 57.53 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.024 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.945 178.722 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 48.5 p . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.698 0.285 . . . . 10.0 111.064 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.17 -27.98 59.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.423 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -62.98 -46.31 88.29 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.858 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.629 ' O ' HG22 ' D' ' 20' ' ' VAL . 43.8 m-85 -77.52 -29.19 52.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.236 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.54 -51.15 61.99 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -75.06 -23.82 58.14 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.723 0.297 . . . . 10.0 111.458 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.15 82.12 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.81 -0.709 . . . . 10.0 111.949 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.672 ' HB ' ' HB3' ' D' ' 23' ' ' LEU . 34.2 m -116.01 33.46 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 121.06 0.457 . . . . 10.0 111.298 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.93 -57.05 14.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.674 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -80.71 -5.6 57.27 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.167 0.508 . . . . 10.0 110.849 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.672 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 1.8 tm? -71.26 -36.97 71.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.667 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -65.38 -33.06 75.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.16 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -71.84 -34.02 68.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.44 -31.17 68.24 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.679 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.451 HG23 ' O ' ' D' ' 23' ' ' LEU . 58.7 t -69.14 -43.55 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 22.3 p -72.12 -29.92 64.55 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.539 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 29' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' D' ' 33' ' ' LYS . 21.1 tt0 -71.94 -41.84 67.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.75 -28.72 67.06 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.665 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.03 -38.44 75.87 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.361 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.67 -32.84 68.3 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.61 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 33' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' D' ' 37' ' ' LYS . 32.6 mmtp -65.71 -38.11 88.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.498 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.68 HD22 ' HE1' ' B' ' 16' ' ' PHE . 1.9 mt -65.65 -25.05 67.18 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.04 -51.44 42.25 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.01 18.05 21.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.973 0.731 . . . . 10.0 112.973 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 37' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' D' ' 33' ' ' LYS . 13.6 mptt -117.75 103.82 50.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.381 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.85 -68.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.072 2.514 . . . . 10.0 112.877 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 39' ' ' SER . . . . . 0.403 ' HB2' HD22 ' A' ' 9' ' ' LEU . 15.0 m -111.19 128.58 55.96 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 110.389 -0.226 . . . . 10.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.862 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 51.9 m-20 -136.02 105.9 9.61 Favored Pre-proline 0 C--O 1.219 -0.545 0 N-CA-C 114.264 1.209 . . . . 10.0 114.264 -177.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' D' ' 40' ' ' ASP . 23.0 Cg_endo -65.55 -45.14 7.32 Favored 'Trans proline' 0 C--N 1.33 -0.397 0 C-N-CA 121.979 1.786 . . . . 10.0 111.347 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.42 -56.78 4.18 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 113.509 0.929 . . . . 10.0 113.509 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 1.6 mm? -62.56 -33.25 74.58 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.587 1.328 . . . . 10.0 114.587 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.862 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.0 OUTLIER -69.13 -42.45 75.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.954 0.353 . . . . 10.0 111.954 -179.355 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.43 -31.43 62.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.455 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.49 -40.96 69.86 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -68.68 -32.91 73.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.556 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 48' ' ' GLN . . . . . 0.674 ' HG3' ' HB2' ' A' ' 79' ' ' PHE . 18.8 tt0 -63.16 -42.89 99.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.252 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 42.0 t -75.35 -38.26 60.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.796 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 50' ' ' LYS . . . . . 0.509 ' HD2' ' CD2' ' D' ' 23' ' ' LEU . 34.7 mmtm -74.58 -31.49 62.08 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.484 HD23 ' CZ ' ' A' ' 79' ' ' PHE . 42.1 tp -73.35 -42.03 62.75 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.652 0.263 . . . . 10.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 89.4 p -68.64 -28.6 67.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.425 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.1 -36.3 83.87 Favored 'General case' 0 C--N 1.338 0.075 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -65.79 -34.05 77.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.001 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.12 -54.4 45.0 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.929 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' D' ' 56' ' ' LEU . 2.8 mm? -69.55 -26.88 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.55 0.944 . . . . 10.0 113.55 -179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 57' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' D' ' 61' ' ' GLN . 9.1 t80 -58.98 -45.88 89.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 177.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -36.21 25.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.498 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.5 -51.51 50.19 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.09 -33.38 73.42 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.887 0.329 . . . . 10.0 111.887 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 61' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' D' ' 57' ' ' TYR . 56.5 tt0 -63.49 -54.0 43.2 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.666 -0.243 . . . . 10.0 110.966 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 83.4 p -70.94 -22.1 62.26 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.63 -52.52 25.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.68 -37.14 86.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.267 -0.424 . . . . 10.0 112.1 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 65' ' ' VAL . . . . . 0.448 HG23 ' O ' ' D' ' 61' ' ' GLN . 96.2 t -62.96 -37.9 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.829 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.205 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.375 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.648 ' CZ2' HD23 ' B' ' 23' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.417 0.151 . . . . 10.0 111.065 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -149.89 154.33 38.16 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.82 171.0 35.7 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 111.197 -0.761 . . . . 10.0 111.197 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -66.74 -46.03 76.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.159 0.48 . . . . 10.0 111.626 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.548 HD22 ' HE2' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -74.62 -29.56 61.34 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.713 0.292 . . . . 10.0 110.627 179.317 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.11 -35.74 69.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.02 0.438 . . . . 10.0 109.898 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.599 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 28.1 t70 -73.09 -41.78 63.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.424 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.415 HG23 HD22 ' C' ' 31' ' ' LEU . 2.8 p -66.19 -28.22 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 111.763 0.283 . . . . 10.0 111.763 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -71.61 -37.61 70.92 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.26 -23.5 59.14 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.147 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HZ1' ' HB3' ' C' ' 35' ' ' ALA . 5.2 mmmp? -63.35 -47.02 83.86 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.551 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' HD1' ' A' ' 57' ' ' TYR . 43.1 m-85 -73.62 -30.57 63.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.203 -0.908 . . . . 10.0 111.355 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.67 -51.81 56.5 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 m -73.4 -23.35 60.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.109 0.481 . . . . 10.0 109.759 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.44 -52.11 42.66 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.35 -0.841 . . . . 10.0 113.241 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 17.3 m -112.73 32.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.2 -55.45 31.95 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.555 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -72.57 -18.57 61.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.218 0.532 . . . . 10.0 110.454 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.49 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.0 tm? -70.91 -34.33 71.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.348 -0.842 . . . . 10.0 110.795 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 87.0 mm-40 -61.04 -47.73 85.04 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.927 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -68.22 -26.39 65.68 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.567 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -70.91 -30.37 66.69 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.648 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 23' ' ' LEU . 67.7 t -69.5 -45.17 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-O 120.832 0.348 . . . . 10.0 110.257 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -73.36 -24.84 60.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.623 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -76.29 -39.46 54.14 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.889 0.376 . . . . 10.0 110.489 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.65 -24.49 58.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.406 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.67 -36.61 67.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.334 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.56 -37.59 74.01 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.651 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -71.13 -33.44 70.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.098 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -35.26 73.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.321 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.78 -25.4 61.16 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.93 0.12 57.48 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.89 0.33 . . . . 10.0 111.89 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.9 mmtm -125.74 142.7 42.85 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 34.1 Cg_exo -62.84 -65.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.648 2.232 . . . . 10.0 111.846 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 p -150.11 125.51 10.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.047 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.867 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 1.1 m-20 -128.13 114.84 20.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 20.7 Cg_endo -63.63 -34.72 62.24 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.306 2.004 . . . . 10.0 111.72 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.83 56.21 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.906 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.867 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 4.1 mm? -72.01 -29.08 63.84 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.0 -32.1 56.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.742 -0.208 . . . . 10.0 111.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.04 -37.03 64.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.915 0.388 . . . . 10.0 110.67 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.42 -39.95 64.63 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.856 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -69.87 -33.44 72.24 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.108 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -64.13 -43.18 96.08 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.698 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.0 t -70.98 -38.59 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.934 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 68.1 mmtt -74.05 -23.2 59.34 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 51' ' ' LEU . 9.0 mt -74.44 -38.76 62.91 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.827 0.346 . . . . 10.0 110.665 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.4 p -71.34 -29.61 65.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.84 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.509 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 49.9 mt-10 -68.76 -36.57 78.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.933 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -69.98 -36.23 75.02 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.673 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 15.3 t30 -65.29 -35.25 80.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.221 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.468 HD11 HD11 ' C' ' 44' ' ' LEU . 0.7 OUTLIER -73.57 -31.5 63.65 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.502 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.477 ' HD1' ' HB3' ' A' ' 16' ' ' PHE . 2.4 t80 -66.54 -48.69 68.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.094 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 58' ' ' ARG . 0.9 OUTLIER -73.28 -28.02 61.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.686 -179.714 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -76.12 -44.8 36.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.798 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.28 -31.28 71.49 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.824 0.345 . . . . 10.0 111.142 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -71.14 -44.8 64.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.796 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.9 p -71.39 -26.83 62.94 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.078 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -73.71 -41.93 61.91 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.314 -0.403 . . . . 10.0 112.042 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.1 p -67.97 -38.59 82.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.2 t -71.27 -28.96 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 10.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -72.99 -47.53 44.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -72.54 -39.43 61.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.92 0.391 . . . . 10.0 111.386 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.705 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 10.3 t80 -65.09 -45.3 85.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.705 -0.679 . . . . 10.0 111.707 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HA ' ' HD3' ' A' ' 69' ' ' LYS . 18.7 mmtp -67.95 -33.79 75.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.524 0.564 . . . . 10.0 112.524 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.86 -54.06 51.17 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.939 0.4 . . . . 10.0 111.038 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -67.61 -37.45 78.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.179 -179.405 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.11 -36.05 83.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.756 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.28 75.55 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.51 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.15 81.34 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 10.0 110.718 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.555 HG23 ' OE1' ' D' ' 48' ' ' GLN . 25.8 mt -66.45 -36.89 78.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.549 0.69 . . . . 10.0 109.496 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.644 HD12 HD22 ' D' ' 44' ' ' LEU . 0.9 OUTLIER -55.43 -47.15 78.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 114.508 -1.224 . . . . 10.0 112.389 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.406 ' N ' HG22 ' A' ' 76' ' ' ILE . 3.6 mp0 -81.23 -10.26 59.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.652 -0.419 . . . . 10.0 112.059 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -70.39 -24.0 62.87 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.799 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 25.8 m-85 -69.41 87.76 0.46 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.201 -1.363 . . . . 10.0 110.279 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' HG22 ' B' ' 67' ' ' VAL . 13.4 ptm180 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.069 -0.967 . . . . 10.0 111.957 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.298 0 N-CA-C 112.188 -0.365 . . . . 10.0 112.188 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -66.96 -48.83 67.33 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -75.09 -26.1 59.04 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.764 0.316 . . . . 10.0 111.058 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -72.53 -38.36 68.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.124 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.445 ' OD2' HD21 ' D' ' 31' ' ' LEU . 20.5 t70 -73.35 -36.25 66.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.839 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.9 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 0.9 OUTLIER -67.84 -28.1 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.028 0.442 . . . . 10.0 111.242 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 70.7 m -74.23 -36.84 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.33 -33.58 61.14 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.461 -0.79 . . . . 10.0 112.295 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LYS . . . . . 0.905 ' HZ3' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -64.38 -39.0 93.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.729 0.299 . . . . 10.0 110.969 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.459 ' O ' HG22 ' B' ' 20' ' ' VAL . 23.0 m-85 -75.33 -29.95 60.13 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.373 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -65.81 -54.04 32.13 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.943 1.09 . . . . 10.0 113.943 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -71.67 -22.39 61.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.253 0.549 . . . . 10.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.55 -51.71 34.91 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 115.24 -0.891 . . . . 10.0 115.083 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' B' ' 24' ' ' GLN . 22.7 m -110.74 28.0 2.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 120.968 0.413 . . . . 10.0 111.781 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.6 -39.04 93.36 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.066 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -72.92 -35.95 67.15 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.648 HD23 ' CZ2' ' A' ' 5' ' ' TRP 0.277 2.2 pp -71.63 -21.77 61.78 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' B' ' 20' ' ' VAL . 86.2 mm-40 -58.86 -48.28 81.91 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 10.0 110.267 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.2 t -72.99 -25.95 61.17 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.538 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' B' ' 23' ' ' LEU . 18.7 mm-40 -70.69 -29.42 65.71 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.444 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 23' ' ' LEU . 87.4 t -71.48 -45.62 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 31.3 p -71.39 -24.95 62.16 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.151 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.63 -38.45 54.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.231 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.88 -25.31 58.86 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.47 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.99 -36.02 66.99 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.846 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.36 -38.96 78.34 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.07 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -71.44 -26.4 62.71 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.065 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -40.21 69.07 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.552 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.74 -19.46 59.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.763 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.15 -10.46 49.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.774 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -122.19 148.03 50.95 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.205 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -65.33 -59.92 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.702 2.268 . . . . 10.0 111.426 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p -157.97 125.82 5.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.702 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.434 ' HA ' ' HD2' ' B' ' 41' ' ' PRO . 0.5 OUTLIER -135.26 112.25 11.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.249 179.476 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 26.2 Cg_endo -63.61 -29.32 69.96 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.815 2.343 . . . . 10.0 112.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.0 -43.63 61.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.69 -26.83 61.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.594 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.81 -32.08 61.88 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.541 -0.3 . . . . 10.0 111.332 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.91 -36.6 64.74 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.361 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.68 -39.48 64.37 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.632 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -70.37 -32.68 70.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.855 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -61.91 -49.46 76.1 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.344 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.0 p -69.41 -37.81 77.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.277 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' B' ' 50' ' ' LYS . 67.7 mmtt -71.99 -27.36 62.7 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.15 -39.86 71.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.511 . . . . 10.0 109.712 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -72.7 -28.41 62.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.437 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.88 -35.98 77.54 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.161 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.89 -34.57 76.92 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.724 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 64.0 t30 -66.36 -28.83 68.96 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.364 -0.835 . . . . 10.0 109.749 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.477 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.6 OUTLIER -66.22 -43.32 87.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.673 179.659 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.26 -52.22 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.738 -0.664 . . . . 10.0 112.522 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 58' ' ' ARG . 1.0 OUTLIER -71.19 -23.97 62.14 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -178.89 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.724 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 1.1 t-20 -78.97 -61.7 1.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.901 1.074 . . . . 10.0 113.901 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.12 -31.23 68.75 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.541 0.21 . . . . 10.0 110.543 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.08 -50.08 67.55 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.785 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 95.8 p -70.68 -27.47 64.04 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.967 0.413 . . . . 10.0 111.177 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.799 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 65.4 m-20 -73.55 -39.14 64.94 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.401 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -71.01 -40.17 71.97 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' B' ' 69' ' ' LYS . 98.3 t -65.22 -30.52 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.595 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -67.09 -45.13 78.2 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.579 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.423 HG22 ' C ' ' A' ' 80' ' ' ARG . 21.2 t -69.82 -44.63 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-O 120.787 0.327 . . . . 10.0 111.498 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -63.51 -50.71 68.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 10.0 112.372 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' B' ' 69' ' ' LYS . 0.2 OUTLIER -64.57 -33.9 77.0 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 113.192 0.812 . . . . 10.0 113.192 -179.1 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.87 -57.45 12.73 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.874 0.368 . . . . 10.0 111.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.41 ' H ' HG13 ' B' ' 71' ' ' ILE . 1.8 pp -71.33 -26.97 27.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ASP . . . . . 0.467 ' HA ' HD12 ' B' ' 75' ' ' ILE . 32.7 t70 -69.64 -34.71 74.42 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 10.0 110.262 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.36 68.18 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.493 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.72 84.81 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.828 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' B' ' 72' ' ' ASP . 4.4 mt -71.8 -38.21 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.784 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.45 -41.19 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.73 -17.72 59.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.086 -0.507 . . . . 10.0 110.709 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -75.07 -27.04 59.79 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.713 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.233 0.208 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.684 179.155 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 2.2 m95 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.592 0.234 . . . . 10.0 110.632 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -137.14 148.36 46.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 10.0 111.397 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.03 165.09 25.84 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.309 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.93 -44.84 79.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.693 0.282 . . . . 10.0 111.623 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' C' ' 10' ' ' ASP . 0.4 OUTLIER -74.91 -29.34 60.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.846 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 10' ' ' ASP . . . . . 0.431 ' N ' ' HG ' ' C' ' 9' ' ' LEU . 26.7 t70 -71.76 -33.42 68.62 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.504 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 11' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' C' ' 15' ' ' LYS . 26.8 t70 -72.74 -44.87 61.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.093 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.14 -27.95 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 112.057 0.392 . . . . 10.0 112.057 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m -69.84 -37.85 76.32 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.19 -23.98 61.35 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.803 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' C' ' 11' ' ' ASP . 3.2 mmmp? -65.29 -43.26 91.71 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.534 ' HB3' ' CD1' ' C' ' 57' ' ' TYR . 31.0 m-85 -77.39 -33.06 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.448 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -64.82 -45.07 87.76 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.533 0.568 . . . . 10.0 112.533 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -79.4 -25.75 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 10.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.29 -47.91 55.44 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.722 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.52 HG22 ' O ' ' C' ' 16' ' ' PHE . 30.4 m -109.19 31.84 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.16 -55.94 26.5 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.241 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -77.97 -14.1 59.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.574 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.517 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.3 tm? -71.14 -35.2 71.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.49 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' C' ' 20' ' ' VAL . 17.2 mm100 -61.01 -47.66 85.43 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.755 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -68.13 -26.01 65.58 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.412 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -71.44 -29.31 64.72 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.564 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 23' ' ' LEU . 96.1 t -70.67 -45.64 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.934 0.397 . . . . 10.0 110.304 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 28.4 p -72.75 -25.78 61.32 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.507 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -75.38 -38.71 59.81 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.547 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.25 -24.24 60.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.506 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' LEU . . . . . 0.415 HD22 HG23 ' A' ' 12' ' ' VAL . 8.9 mt -72.1 -36.53 69.51 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.069 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.53 -39.39 81.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.299 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -71.59 -40.62 69.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.784 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.12 -52.78 53.33 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ALA . . . . . 0.608 ' HB3' ' HZ1' ' A' ' 15' ' ' LYS . . . -68.97 -19.34 64.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -178.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.45 12.41 31.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.338 0.589 . . . . 10.0 111.843 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' C' ' 38' ' ' PRO . 40.2 mmtm -135.15 138.46 29.25 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.444 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.509 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 60.2 Cg_exo -54.39 -70.99 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 123.182 2.588 . . . . 10.0 113.688 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 22.1 m -141.4 125.73 17.56 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.733 0.301 . . . . 10.0 111.366 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.746 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 2.4 m-20 -132.13 104.4 13.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.159 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 41' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 25.9 Cg_endo -64.18 -33.14 61.78 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.227 1.951 . . . . 10.0 112.244 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.33 -37.25 60.84 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.911 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.746 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.1 mm? -72.45 -28.46 62.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.76 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 56' ' ' LEU . 18.2 mt -74.4 -32.97 62.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.628 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.95 -37.98 64.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.043 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.51 66.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.187 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -71.67 -33.33 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.273 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.9 -47.94 81.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.77 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.3 t -67.96 -39.07 83.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.354 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -73.85 -22.2 59.84 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.39 -40.88 66.89 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.748 0.308 . . . . 10.0 110.742 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 52.5 p -74.05 -28.42 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.017 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.79 -36.61 83.69 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -73.64 -33.03 64.32 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.192 -0.913 . . . . 10.0 108.679 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' C' ' 59' ' ' ASN . 7.6 t30 -65.23 -43.04 92.7 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.203 -0.908 . . . . 10.0 111.025 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.509 HD13 ' HA ' ' C' ' 56' ' ' LEU . 0.6 OUTLIER -74.16 -28.61 61.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 57' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' C' ' 16' ' ' PHE . 0.5 OUTLIER -67.04 -49.73 64.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.719 0.295 . . . . 10.0 111.265 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.583 ' HB2' HD11 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -72.38 -33.49 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.773 -179.219 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 59' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' C' ' 55' ' ' ASN . 0.7 OUTLIER -70.31 -33.73 71.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.79 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.3 -29.93 65.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.206 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.451 ' O ' HG23 ' C' ' 65' ' ' VAL . 11.0 tt0 -72.34 -45.11 61.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 62' ' ' SER . . . . . 0.509 ' HA ' HE22 ' D' ' 48' ' ' GLN . 58.5 p -70.0 -24.89 63.37 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.706 0.289 . . . . 10.0 110.692 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -46.86 29.67 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.901 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 15.6 p -65.1 -38.46 90.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.94 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 65' ' ' VAL . . . . . 0.451 HG23 ' O ' ' C' ' 61' ' ' GLN . 64.4 t -69.77 -28.49 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 120.856 0.36 . . . . 10.0 110.603 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -75.6 -47.96 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.875 0.694 . . . . 10.0 112.875 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 18.2 m -72.57 -38.57 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 113.193 0.812 . . . . 10.0 113.193 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -68.61 -40.47 80.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.812 0.339 . . . . 10.0 110.924 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.536 ' HD3' ' HA ' ' C' ' 69' ' ' LYS . 26.1 mmtp -72.64 -33.52 66.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.92 0.711 . . . . 10.0 112.92 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.98 -50.93 71.69 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.83 0.348 . . . . 10.0 110.892 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 28.6 pt -74.9 -26.01 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.95 -33.65 68.36 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.801 0.334 . . . . 10.0 110.615 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.38 71.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.365 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.14 87.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.811 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.73 -38.83 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.822 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.94 -39.02 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.455 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -71.71 -19.11 62.1 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.818 0.342 . . . . 10.0 110.393 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.026 178.449 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.652 0.263 . . . . 10.0 110.614 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.8 -24.65 63.52 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.557 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 15' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' D' ' 15' ' ' LYS . 4.6 mmmp? -68.57 -38.93 81.13 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.79 0.329 . . . . 10.0 110.536 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -77.71 -33.8 52.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.898 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -64.89 -49.97 68.39 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.09 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -78.46 -27.41 46.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.592 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.99 -47.37 89.3 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.125 -0.559 . . . . 10.0 113.078 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' D' ' 23' ' ' LEU . 28.8 m -115.55 32.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 10.0 111.735 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.55 -45.19 92.55 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.434 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -75.38 -19.46 59.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.471 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.552 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 1.7 tt -71.71 -32.91 68.31 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.143 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.75 -45.62 91.66 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.314 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -72.89 -26.04 61.29 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.307 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -71.78 -30.61 65.73 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.461 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.431 HG23 ' O ' ' D' ' 23' ' ' LEU . 79.2 t -72.16 -43.25 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.394 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 35.3 p -73.39 -24.78 60.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.198 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.96 -36.58 56.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.672 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.94 -29.79 58.46 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.573 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 31' ' ' LEU . . . . . 0.445 HD21 ' OD2' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -71.75 -35.89 70.26 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.475 179.069 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.28 -38.9 71.8 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.825 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -66.86 -47.57 71.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.986 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -57.97 -24.36 57.72 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.675 0.61 . . . . 10.0 112.577 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 35' ' ' ALA . . . . . 0.905 ' HA ' ' HZ3' ' B' ' 15' ' ' LYS . . . -49.66 -52.9 27.54 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.352 . . -99.73 26.2 6.46 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 115.972 1.842 . . . . 10.0 115.972 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -131.02 110.77 15.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.203 -1.036 . . . . 10.0 108.203 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.502 ' HG3' ' CZ3' ' A' ' 5' ' ' TRP . 18.7 Cg_endo -57.32 -74.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.944 2.429 . . . . 10.0 113.634 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 39' ' ' SER . . . . . 0.427 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 2.3 m -107.58 133.4 52.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.769 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 7.8 m-20 -135.69 110.18 10.27 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.705 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 42.7 Cg_endo -68.6 -45.59 2.33 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 122.74 2.293 . . . . 10.0 110.689 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.489 ' HA ' ' CZ ' ' C' ' 58' ' ' ARG . . . -78.1 -52.37 8.84 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.812 -1.086 . . . . 10.0 112.436 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.7 mm? -64.12 -28.82 70.03 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.769 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -81.8 -35.9 29.0 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 179.564 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.27 -34.54 65.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.876 0.37 . . . . 10.0 110.455 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.36 -37.83 65.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.172 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 47' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 12.9 t80 -70.72 -32.75 70.06 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.116 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 48' ' ' GLN . . . . . 0.555 ' OE1' HG23 ' A' ' 75' ' ' ILE . 7.5 tt0 -63.31 -40.74 98.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.269 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 23.9 t -75.03 -40.03 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.417 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -74.51 -24.61 59.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.521 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 0.5 OUTLIER -74.32 -37.73 63.5 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.017 0.437 . . . . 10.0 109.908 179.123 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 91.6 p -73.4 -28.89 62.25 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.356 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.0 -36.5 72.49 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.235 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -72.39 -28.59 63.09 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -59.88 -48.85 80.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.42 -1.264 . . . . 10.0 110.968 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -27.48 59.22 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 113.607 0.966 . . . . 10.0 113.607 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -57.18 -44.46 83.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 10.0 110.395 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -81.34 -29.73 34.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.775 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -75.79 -43.0 48.47 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.45 70.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.541 -0.299 . . . . 10.0 110.671 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -69.72 -40.51 76.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.361 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 91.2 p -71.12 -25.69 62.69 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.927 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -76.31 -42.5 44.95 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.986 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -62.1 -38.04 87.36 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.646 0.26 . . . . 10.0 111.599 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.64 -29.91 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.768 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 tptp . . . . . 0 C--N 1.333 -0.139 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.686 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.421 ' HZ3' ' HB2' ' A' ' 10' ' ' ASP . 4.1 t90 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.912 0.387 . . . . 10.0 111.393 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -130.9 143.17 50.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.28 160.31 30.8 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.316 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -66.95 -33.05 74.73 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.728 0.299 . . . . 10.0 111.009 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -66.79 -31.69 72.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.878 179.186 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.421 ' HB2' ' HZ3' ' A' ' 5' ' ' TRP . 17.3 t70 -72.3 -33.15 67.18 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.947 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.23 -37.3 80.68 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.653 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.13 -38.1 79.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.879 0.371 . . . . 10.0 110.688 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.525 ' HB3' HE21 ' A' ' 61' ' ' GLN . 60.3 m -66.12 -37.89 86.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.319 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.1 57.63 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.469 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -64.09 -51.81 62.25 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.798 0.332 . . . . 10.0 110.781 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.517 ' O ' HG22 ' A' ' 20' ' ' VAL . 20.7 m-85 -69.16 -29.36 67.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.396 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.42 -39.15 91.77 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.747 -0.661 . . . . 10.0 112.493 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.0 m -68.78 -32.43 72.16 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.646 0.26 . . . . 10.0 110.669 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.78 -30.48 74.55 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.649 -0.581 . . . . 10.0 111.649 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.588 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 28.0 m -120.15 33.38 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.21 -56.16 25.67 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.42 0.896 . . . . 10.0 113.42 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -81.2 -0.24 39.62 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.395 0.617 . . . . 10.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.588 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -71.17 -36.67 72.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.837 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -56.33 -46.94 79.67 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -72.3 -26.48 61.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.268 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.23 -32.02 69.7 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.994 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 23' ' ' LEU . 99.3 t -68.33 -46.47 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.365 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -68.0 -30.68 69.99 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.908 -0.587 . . . . 10.0 112.031 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -76.07 -41.13 51.52 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.169 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.0 71.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.07 -36.66 66.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.668 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.71 -39.0 80.68 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.522 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -71.2 -40.2 71.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.406 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -28.64 67.95 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.601 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.69 -22.78 63.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.846 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.84 -2.42 18.46 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 25.8 mmtp -107.95 123.5 37.54 Favored Pre-proline 0 N--CA 1.462 0.174 0 CA-C-N 116.609 -0.269 . . . . 10.0 111.427 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -61.9 -64.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.918 2.412 . . . . 10.0 111.818 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 p -140.45 123.73 16.8 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.936 0.398 . . . . 10.0 111.064 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.834 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.27 112.85 8.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.457 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 20.2 Cg_endo -62.48 -38.85 49.4 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.413 2.076 . . . . 10.0 112.491 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.35 -41.22 57.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.71 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.834 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 4.2 mm? -72.12 -25.25 61.65 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.243 0.461 . . . . 10.0 112.243 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.4 tp -74.77 -38.97 62.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.921 0.391 . . . . 10.0 110.372 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.9 -31.59 63.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.294 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.81 65.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.009 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -69.51 -35.11 75.2 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.307 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -69.05 -45.86 69.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.329 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.618 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 41.5 t -68.87 -41.83 77.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.378 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -69.49 -29.55 67.22 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.91 0.708 . . . . 10.0 112.91 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -73.33 -29.7 62.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.951 0.405 . . . . 10.0 110.33 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.8 m -73.84 -30.03 62.45 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.56 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.661 ' HG2' ' HA ' ' C' ' 38' ' ' PRO . 34.9 mt-10 -70.56 -36.83 73.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.623 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.05 -35.12 77.72 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.539 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 27.4 t30 -64.53 -46.62 82.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.181 -0.918 . . . . 10.0 110.462 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.98 -28.46 65.55 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -53.37 47.25 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.711 -0.222 . . . . 10.0 111.111 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -29.03 59.36 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.292 0.479 . . . . 10.0 112.292 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.539 ' HB2' ' O ' ' A' ' 55' ' ' ASN . 20.6 t30 -69.91 -45.18 68.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.588 -0.278 . . . . 10.0 111.202 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.33 65.0 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.112 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.525 HE21 ' HB3' ' A' ' 13' ' ' SER . 61.5 tt0 -70.99 -42.97 68.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.9 p -71.72 -26.89 62.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.893 0.378 . . . . 10.0 110.86 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -74.63 -36.03 62.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.729 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.8 p -70.45 -42.59 71.29 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.79 -31.0 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.8 0.333 . . . . 10.0 110.933 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -75.38 -48.08 24.58 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 71' ' ' ILE . 28.1 t -75.37 -41.1 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.761 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 77.5 t80 -62.37 -39.47 93.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.297 0.57 . . . . 10.0 111.407 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.557 ' HG3' ' OG ' ' B' ' 52' ' ' SER . 0.3 OUTLIER -66.72 -35.82 81.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.551 179.318 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -66.76 -27.86 67.94 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.035 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 68' ' ' PHE . 21.0 mt -60.85 -54.49 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.546 0.689 . . . . 10.0 109.994 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.673 ' O ' HG23 ' A' ' 76' ' ' ILE . 20.4 m-20 -64.36 -30.49 71.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.372 -1.286 . . . . 10.0 112.699 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.589 ' O ' HG12 ' A' ' 76' ' ' ILE . . . -59.26 -40.68 86.79 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.091 0.472 . . . . 10.0 111.539 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.737 ' O ' ' HG2' ' A' ' 77' ' ' GLN . . . -75.56 -28.06 58.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.929 0.395 . . . . 10.0 111.127 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.554 ' HA ' ' ND2' ' A' ' 78' ' ' ASN . 8.2 mt -68.43 -34.1 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.075 0.464 . . . . 10.0 110.636 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.673 HG23 ' O ' ' A' ' 72' ' ' ASP . 9.8 pt -74.96 -24.94 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.482 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.737 ' HG2' ' O ' ' A' ' 74' ' ' ALA . 2.6 pt20 -68.9 -27.82 66.12 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.554 ' ND2' ' HA ' ' A' ' 75' ' ' ILE . 6.8 m-20 -73.93 -33.68 64.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.299 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -66.21 143.8 57.02 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.647 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.139 -0.934 . . . . 10.0 111.498 179.111 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.966 -0.054 . . . . 10.0 112.966 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -67.07 -35.63 80.24 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.841 0.353 . . . . 10.0 111.012 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.601 ' H ' HD23 ' B' ' 9' ' ' LEU . 0.8 OUTLIER -69.52 -31.69 70.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.121 179.676 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.78 -33.2 66.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.672 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.73 -40.06 80.07 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.421 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -28.02 30.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.935 0.398 . . . . 10.0 111.511 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 72.7 m -70.41 -37.18 74.42 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.57 57.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.359 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -59.07 -55.14 38.87 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.925 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.526 ' O ' HG22 ' B' ' 20' ' ' VAL . 10.2 m-85 -72.8 -28.71 62.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.973 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.69 -48.81 70.78 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.7 m -62.22 -27.37 68.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.857 0.36 . . . . 10.0 111.659 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.35 -31.84 58.68 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.749 -0.738 . . . . 10.0 112.249 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.553 ' HB ' HD23 ' B' ' 23' ' ' LEU . 27.0 m -115.74 31.91 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.055 0.455 . . . . 10.0 110.364 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.17 -54.7 43.97 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.57 -0.741 . . . . 10.0 112.476 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -78.25 -2.84 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.533 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.553 HD23 ' HB ' ' B' ' 20' ' ' VAL . 23.2 tp -72.32 -32.93 66.98 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.804 0.668 . . . . 10.0 112.804 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -55.83 -48.19 75.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.824 0.345 . . . . 10.0 111.395 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -73.62 -26.58 60.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.068 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -72.01 -37.75 69.72 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.702 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.78 -32.61 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.688 -0.233 . . . . 10.0 111.496 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 32.0 p -77.08 -29.57 55.06 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.755 0.312 . . . . 10.0 110.709 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -77.13 -36.54 55.33 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.362 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.02 -31.48 70.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.631 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.1 tp -73.1 -36.16 66.73 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.239 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.02 -38.78 76.01 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.571 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -71.41 -33.94 69.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.202 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.5 OUTLIER -70.98 -31.03 67.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.958 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.49 -16.34 60.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.412 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.59 -6.98 20.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.309 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.1 mmtm -106.61 129.5 24.35 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.379 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 39.1 Cg_exo -63.22 -54.98 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.684 2.256 . . . . 10.0 110.705 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.9 p -154.57 124.07 6.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.974 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASP . . . . . 0.693 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 3.4 t70 -137.18 109.49 8.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.647 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.63 -35.6 79.95 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.714 2.276 . . . . 10.0 112.513 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.63 -44.43 56.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.304 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.693 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.6 mm? -72.33 -20.66 61.45 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -75.73 -44.72 40.43 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.902 0.382 . . . . 10.0 110.492 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.03 -28.4 62.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.827 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.39 -46.6 47.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.803 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -65.82 -36.06 82.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.137 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -66.44 -42.09 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.163 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' B' ' 53' ' ' GLU . 1.5 t -67.71 -43.5 79.91 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.094 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -70.14 -28.57 65.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 10.0 112.091 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.1 -29.79 67.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.557 ' OG ' ' HG3' ' A' ' 69' ' ' LYS . 18.3 m -65.21 -53.19 48.27 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 115.41 -0.813 . . . . 10.0 110.403 178.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLU . . . . . 0.486 ' OE1' ' HB2' ' D' ' 38' ' ' PRO . 0.7 OUTLIER -54.19 -35.21 62.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.731 -1.122 . . . . 10.0 111.707 -178.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -67.81 -41.7 82.68 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -69.92 -27.54 64.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.701 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' B' ' 56' ' ' LEU . 0.9 OUTLIER -72.88 -34.49 66.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.233 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -54.11 9.47 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.258 0.836 . . . . 10.0 113.258 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -36.79 79.59 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 114.224 1.194 . . . . 10.0 114.224 -177.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.524 ' OD1' ' HB ' ' A' ' 76' ' ' ILE . 27.6 t-20 -74.29 -50.32 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.099 0.778 . . . . 10.0 113.099 -178.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.45 70.64 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -68.01 -40.51 82.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.167 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m -70.67 -30.03 66.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.967 0.413 . . . . 10.0 110.142 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -72.6 -40.96 66.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.741 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 28.6 p -68.2 -41.38 81.44 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 69.5 t -72.44 -29.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.72 0.295 . . . . 10.0 111.281 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -75.66 -48.79 20.61 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.657 ' O ' HG13 ' B' ' 71' ' ' ILE . 49.1 t -69.75 -46.51 74.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 112.021 0.378 . . . . 10.0 112.021 -179.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' B' ' 71' ' ' ILE . 51.1 t80 -59.07 -33.11 70.42 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.209 0.318 . . . . 10.0 111.153 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -67.74 -35.8 79.4 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.981 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -74.52 -27.07 60.38 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.363 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.657 HG13 ' O ' ' B' ' 67' ' ' VAL . 25.4 mt -66.84 -48.54 79.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 121.02 0.438 . . . . 10.0 110.125 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ASP . . . . . 0.538 ' O ' HG13 ' B' ' 76' ' ' ILE . 10.9 m-20 -69.94 -28.57 65.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.626 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.23 86.58 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.952 0.406 . . . . 10.0 110.703 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 77' ' ' GLN . . . -70.55 -35.71 73.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.126 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.476 ' HA ' ' OD1' ' B' ' 78' ' ' ASN . 62.0 mt -64.35 -32.07 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.11 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 72' ' ' ASP . 54.8 mt -69.27 -38.32 77.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.711 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' B' ' 74' ' ' ALA . 3.5 pt20 -68.48 -21.81 64.6 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.487 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.476 ' OD1' ' HA ' ' B' ' 75' ' ' ILE . 12.2 m120 -74.69 -39.45 61.97 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.165 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.24 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.717 0.294 . . . . 10.0 110.578 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -130.03 136.6 49.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.234 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.62 164.3 33.88 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.598 -0.81 . . . . 10.0 112.978 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -67.24 -33.97 76.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.809 0.338 . . . . 10.0 111.313 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -29.7 69.65 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.501 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -72.09 -32.23 66.82 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.871 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.41 -36.84 74.28 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.476 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.45 HG11 HG21 ' C' ' 64' ' ' THR . 26.9 t -68.72 -39.7 80.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.885 0.374 . . . . 10.0 110.942 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 13' ' ' SER . . . . . 0.627 ' HB3' HE21 ' C' ' 61' ' ' GLN . 63.0 m -66.39 -39.75 89.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.589 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -22.85 58.31 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.391 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -47.4 79.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.783 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.505 ' O ' HG22 ' C' ' 20' ' ' VAL . 26.6 m-85 -72.31 -30.32 64.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.363 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -65.12 -38.47 90.76 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.634 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -63.34 -36.75 84.75 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.72 0.295 . . . . 10.0 111.388 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.5 -25.59 73.83 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.911 -0.661 . . . . 10.0 112.491 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 32.0 m -116.55 31.99 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.715 0.293 . . . . 10.0 111.305 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.81 -56.08 25.48 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -84.49 1.54 45.17 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.316 0.579 . . . . 10.0 110.558 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.52 ' HB3' ' O ' ' C' ' 20' ' ' VAL . 1.2 tm? -71.76 -40.24 69.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.189 -0.914 . . . . 10.0 111.427 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -56.45 -44.9 80.94 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -72.8 -26.61 61.57 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.561 -0.291 . . . . 10.0 111.069 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.73 -32.58 69.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.898 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 23' ' ' LEU . 89.2 t -68.83 -42.97 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.48 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 36.7 p -71.43 -29.23 64.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.772 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.43 -40.86 57.13 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.774 0.321 . . . . 10.0 110.566 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.35 69.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.476 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.99 -36.76 67.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.446 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.19 -36.5 81.88 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.436 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 64.0 mttp -70.96 -50.23 36.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.52 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.409 ' O ' HD13 ' C' ' 34' ' ' LEU . 1.5 tm? -68.08 -25.52 65.37 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.01 -34.43 59.85 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.45 24.27 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 0.2 OUTLIER -105.04 117.5 58.46 Favored Pre-proline 0 N--CA 1.463 0.208 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 38' ' ' PRO . . . . . 0.661 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 96.9 Cg_exo -47.83 -72.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.322 3.348 . . . . 10.0 113.495 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 51.5 p -146.18 124.3 12.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.25 0.548 . . . . 10.0 111.661 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' ASP . . . . . 0.818 ' HB3' ' HB2' ' C' ' 43' ' ' LEU . 0.4 OUTLIER -137.85 103.7 8.29 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.44 179.121 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 41' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 19.0 Cg_endo -61.92 -35.99 74.61 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.447 2.098 . . . . 10.0 112.133 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -40.77 57.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.4 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.818 ' HB2' ' HB3' ' C' ' 40' ' ' ASP . 4.2 mm? -72.7 -25.33 61.19 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.546 0.573 . . . . 10.0 112.546 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 45.0 tp -71.98 -40.88 68.27 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.804 0.335 . . . . 10.0 110.803 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.91 -30.67 62.71 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.496 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.74 63.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.156 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -69.05 -36.79 78.06 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -69.17 -42.3 76.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.409 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 44.9 t -72.06 -38.81 69.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.445 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -71.05 -28.41 64.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.999 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' C' ' 51' ' ' LEU . 11.5 tp -74.71 -29.91 61.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.896 0.379 . . . . 10.0 110.125 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 54.4 m -74.39 -29.65 61.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.142 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.45 -36.64 79.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.534 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -68.76 -29.4 67.78 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' C' ' 59' ' ' ASN . 58.8 t30 -66.47 -49.13 67.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.015 -0.993 . . . . 10.0 111.714 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.95 -28.29 65.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.762 0.652 . . . . 10.0 112.762 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -49.93 68.15 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.888 0.375 . . . . 10.0 110.999 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 58' ' ' ARG . . . . . 0.616 HH12 ' HB3' ' C' ' 62' ' ' SER . 0.0 OUTLIER -78.84 -26.92 44.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.934 -0.576 . . . . 10.0 112.018 -178.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 59' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' C' ' 55' ' ' ASN . 5.3 m-20 -73.53 -42.58 61.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.313 . . . . 10.0 111.835 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -30.23 61.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.692 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 61' ' ' GLN . . . . . 0.627 HE21 ' HB3' ' C' ' 13' ' ' SER . 55.8 tt0 -68.85 -39.82 79.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.072 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 62' ' ' SER . . . . . 0.616 ' HB3' HH12 ' C' ' 58' ' ' ARG . 34.4 p -71.93 -30.43 65.32 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.577 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -72.15 -40.13 68.26 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.883 0.373 . . . . 10.0 110.611 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 64' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' C' ' 68' ' ' PHE . 20.4 p -69.94 -40.66 75.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.84 -44.83 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -78.52 -48.15 15.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.701 1.0 . . . . 10.0 113.701 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 67' ' ' VAL . . . . . 0.413 ' O ' HG13 ' C' ' 71' ' ' ILE . 39.5 t -68.79 -40.87 81.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 113.392 0.886 . . . . 10.0 113.392 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 68' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' C' ' 64' ' ' THR . 50.3 t80 -65.51 -42.39 92.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.646 0.26 . . . . 10.0 111.165 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 69' ' ' LYS . . . . . 0.723 ' NZ ' HD23 ' D' ' 56' ' ' LEU . 7.5 mtpm? -67.29 -32.7 73.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.39 . . . . 10.0 112.044 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.21 -29.64 70.94 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 71' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' C' ' 68' ' ' PHE . 76.6 mt -66.72 -43.95 89.78 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.584 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 72' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' C' ' 75' ' ' ILE . 29.9 m-20 -68.0 -25.02 65.19 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.221 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.19 -33.93 74.11 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.555 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.76 -29.36 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.672 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' C' ' 72' ' ' ASP . 74.6 mt -69.74 -44.93 78.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.355 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.6 pp -69.34 -24.6 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 120.979 0.419 . . . . 10.0 110.351 179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -69.01 -30.56 68.98 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.64 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.257 178.48 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 13' ' ' SER . . . . . 0.637 ' HB3' HE21 ' D' ' 61' ' ' GLN . 62.2 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.904 0.383 . . . . 10.0 110.601 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.9 -22.99 58.31 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.256 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 15' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' D' ' 15' ' ' LYS . 9.3 tppt? -64.33 -47.67 78.52 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.674 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 16' ' ' PHE . . . . . 0.451 ' O ' HG22 ' D' ' 20' ' ' VAL . 25.0 m-85 -74.17 -31.96 62.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.633 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.35 -40.51 93.69 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.153 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -68.88 -34.4 75.38 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.799 0.333 . . . . 10.0 111.225 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.15 90.65 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.683 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 20' ' ' VAL . . . . . 0.451 HG22 ' O ' ' D' ' 16' ' ' PHE . 30.3 m -117.21 33.66 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.003 0.43 . . . . 10.0 111.038 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.7 -46.97 86.12 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.539 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -82.56 -3.54 56.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 10.0 111.839 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 23' ' ' LEU . . . . . 0.473 ' O ' HG23 ' D' ' 27' ' ' VAL . 1.9 tt -72.19 -33.5 67.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.872 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -58.3 -48.03 81.78 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.21 0.319 . . . . 10.0 111.757 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -72.76 -26.69 61.64 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.35 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -71.15 -33.13 69.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.945 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 23' ' ' LEU . 72.6 t -68.7 -43.87 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.615 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 26.1 p -70.15 -30.04 67.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.698 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -76.65 -41.88 44.08 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.571 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.98 -28.8 65.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.899 0.38 . . . . 10.0 110.768 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -72.94 -37.24 67.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.51 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.46 -37.19 74.25 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.591 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' D' ' 37' ' ' LYS . 62.6 mttp -70.92 -35.18 72.16 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.552 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' D' ' 34' ' ' LEU . 0.3 OUTLIER -71.03 -25.0 62.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.444 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.25 65.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.924 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.0 8.96 12.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 10.0 111.848 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 37' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' D' ' 33' ' ' LYS . 1.2 mptm? -118.03 101.24 51.84 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.685 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 38' ' ' PRO . . . . . 0.486 ' HB2' ' OE1' ' B' ' 53' ' ' GLU . 22.1 Cg_exo -65.96 -73.01 0.02 OUTLIER 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.994 2.463 . . . . 10.0 113.442 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 5.4 p -110.78 118.87 37.32 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.556 -0.458 . . . . 10.0 111.62 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 40' ' ' ASP . . . . . 0.672 ' HB3' ' HB2' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -144.63 134.19 11.51 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 113.647 0.98 . . . . 10.0 113.647 179.652 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 41' ' ' PRO . . . . . 0.761 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 40.5 Cg_endo -69.88 -48.45 0.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.496 2.131 . . . . 10.0 111.865 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.02 25.14 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.186 -0.915 . . . . 10.0 112.871 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 1.8 mm? -65.4 -30.56 71.38 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 112.124 0.416 . . . . 10.0 112.124 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.567 HD13 ' H ' ' D' ' 40' ' ' ASP . 5.3 mp -80.55 -29.96 37.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 10.0 110.665 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.11 82.64 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.925 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 46' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' D' ' 50' ' ' LYS . . . -63.13 -39.12 93.74 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.073 -0.967 . . . . 10.0 111.421 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -71.28 -33.9 70.18 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -68.99 -49.12 60.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.759 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 14.8 t -74.46 -49.75 21.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.523 0.934 . . . . 10.0 113.523 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 50' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' D' ' 46' ' ' ALA . 12.6 mptt -64.76 -37.0 86.12 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.183 1.179 . . . . 10.0 114.183 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.77 -44.51 73.51 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.769 0.319 . . . . 10.0 111.055 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 99.6 p -72.61 -29.21 63.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.237 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.13 -36.93 85.64 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -65.03 -34.68 79.02 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.912 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 55' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' D' ' 59' ' ' ASN . 19.4 t30 -61.55 -45.03 95.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.585 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 56' ' ' LEU . . . . . 0.723 HD23 ' NZ ' ' C' ' 69' ' ' LYS . 2.5 mm? -73.58 -27.29 61.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.53 -46.83 81.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.703 0.287 . . . . 10.0 110.948 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -32.5 33.56 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.484 0.549 . . . . 10.0 112.484 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 59' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' D' ' 55' ' ' ASN . 1.5 t-20 -70.11 -44.74 68.36 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.35 -30.06 63.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.137 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 61' ' ' GLN . . . . . 0.637 HE21 ' HB3' ' D' ' 13' ' ' SER . 57.3 tt0 -68.2 -45.63 72.85 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.486 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 84.8 p -70.86 -24.42 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.823 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.84 -40.87 63.0 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.303 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 22.7 p -67.54 -37.8 83.24 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -69.99 -29.94 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 120.827 0.346 . . . . 10.0 110.682 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 tptp . . . . . 0 CA--C 1.53 0.191 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.612 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.758 0.313 . . . . 10.0 111.253 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.57 136.82 36.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.023 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.2 p -94.84 120.85 64.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.313 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -69.35 146.77 63.79 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.536 2.157 . . . . 10.0 111.688 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.734 ' CH2' ' HG2' ' D' ' 38' ' ' PRO . 0.2 OUTLIER -73.07 111.87 8.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.163 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -94.59 110.01 21.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.729 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.34 136.48 5.33 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.679 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.417 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -66.63 -45.97 77.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.618 0.247 . . . . 10.0 111.303 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.714 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.1 pt? -67.15 -37.35 83.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.038 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -72.01 -29.37 64.13 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.888 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.92 -37.8 79.14 Favored 'General case' 0 C--O 1.227 -0.091 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.611 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG11 HG21 ' A' ' 64' ' ' THR . 60.0 t -68.11 -37.08 77.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.394 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.2 m -68.59 -43.7 75.93 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.56 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -22.97 61.05 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.016 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -63.63 -45.8 88.6 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.309 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 20' ' ' VAL . 17.2 m-85 -71.74 -28.87 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -64.93 -40.16 94.61 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -68.67 -27.52 66.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.085 0.469 . . . . 10.0 110.291 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.83 -48.53 10.0 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.744 -0.662 . . . . 10.0 112.995 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 16' ' ' PHE . 18.4 m -101.81 31.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.87 -56.35 22.84 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.417 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -87.0 -5.67 59.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.916 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.2 tm? -70.83 -33.32 70.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.37 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -61.58 -40.83 96.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.549 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.3 p -72.57 -26.62 61.79 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.022 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -73.02 -29.57 63.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.315 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 23' ' ' LEU . 57.7 t -71.5 -43.23 72.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.621 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 p -71.18 -31.78 68.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.643 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -39.39 76.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.956 0.408 . . . . 10.0 110.471 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.33 -24.32 50.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.386 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.9 tp -72.6 -43.23 63.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.921 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.55 -31.45 68.5 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.679 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -32.43 68.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.411 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -77.96 -31.64 50.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.001 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.78 -25.62 62.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 10.0 112.123 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.22 6.08 49.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 10.0 111.577 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 4.0 mmmp? -127.15 133.56 25.18 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.113 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 31.7 Cg_exo -60.89 -66.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.8 2.333 . . . . 10.0 111.988 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.1 p -152.01 123.85 7.99 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.032 0.444 . . . . 10.0 111.307 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 1.3 p30 -137.95 124.33 13.1 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.458 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.02 -29.3 66.19 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.758 2.305 . . . . 10.0 112.948 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.85 -50.89 18.22 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 3.9 mm? -72.39 -24.1 61.2 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -69.96 -43.31 71.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 10.0 110.173 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.76 -32.51 63.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.87 68.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.937 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 16.4 t80 -70.27 -33.29 71.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.14 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -62.86 -43.3 99.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.354 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.3 t -72.71 -38.76 67.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 70.5 mmtt -72.64 -24.73 61.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 10.0 112.006 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -74.14 -37.11 64.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.833 0.349 . . . . 10.0 110.553 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.2 p -72.19 -29.27 63.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.664 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 50.8 mt-10 -67.7 -36.93 81.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.935 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -71.46 -35.4 70.86 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.557 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.69 -35.41 80.7 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.274 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.65 -32.08 67.53 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.487 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.96 -47.02 66.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.747 0.308 . . . . 10.0 110.932 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -71.0 -33.42 70.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 10.0 112.066 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -77.75 -39.69 43.43 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.93 -34.17 77.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.619 0.247 . . . . 10.0 111.17 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -71.87 -43.04 66.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.7 p -71.54 -25.6 62.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.305 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -74.44 -43.06 57.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.352 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.439 HG21 HG11 ' A' ' 12' ' ' VAL . 3.7 p -69.17 -37.79 78.36 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.55 -20.62 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 120.724 0.297 . . . . 10.0 111.327 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -83.64 -48.89 9.71 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.569 0.581 . . . . 10.0 112.569 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 63' ' ' ASN . 17.3 t -70.13 -35.98 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.995 0.426 . . . . 10.0 111.458 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.687 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 9.9 t80 -70.5 -44.73 67.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 10.0 112.206 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -66.12 -35.67 81.11 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -52.83 63.63 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.99 0.424 . . . . 10.0 111.388 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.544 HD11 ' CB ' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -68.19 -34.82 68.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.94 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.508 ' HA ' HG13 ' A' ' 75' ' ' ILE . 9.9 t70 -72.06 -23.05 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 10.0 111.231 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.51 -33.43 66.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.035 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.25 96.18 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.272 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' D' ' 45' ' ' ALA . 0.6 OUTLIER -62.67 -50.47 79.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.275 -0.875 . . . . 10.0 110.589 179.603 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.01 -35.33 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 114.746 -1.115 . . . . 10.0 112.303 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -72.15 -25.03 61.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.292 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -66.45 -32.67 74.19 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.816 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.983 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 78.5 m-85 -68.6 91.39 0.42 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.307 -0.86 . . . . 10.0 109.361 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.401 ' O ' HG22 ' B' ' 67' ' ' VAL . 38.7 ttp180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.07 -0.966 . . . . 10.0 111.243 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.702 0.287 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.61 139.74 30.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.3 p -99.59 119.29 60.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.028 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.43 140.85 53.94 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.745 2.296 . . . . 10.0 112.239 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -70.05 111.69 5.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.753 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 31.4 m -94.65 110.01 21.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.602 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.59 134.6 4.82 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.603 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.425 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.2 OUTLIER -66.61 -45.53 78.85 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.54 ' H ' HD23 ' B' ' 9' ' ' LEU . 0.4 OUTLIER -68.62 -36.61 78.87 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.432 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.42 -31.31 65.38 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.772 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.53 -37.93 86.06 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.601 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 8' ' ' TYR . 61.3 t -67.16 -36.55 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.685 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.0 m -67.78 -47.61 68.66 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.931 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.25 62.6 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.047 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -63.22 -46.9 84.81 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.269 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.596 ' O ' HG22 ' B' ' 20' ' ' VAL . 20.7 m-85 -71.15 -29.13 64.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.589 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -64.71 -42.08 95.53 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 113.164 0.802 . . . . 10.0 113.164 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -63.45 -29.17 70.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.032 0.444 . . . . 10.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.17 -47.96 10.31 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.532 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.596 HG22 ' O ' ' B' ' 16' ' ' PHE . 22.4 m -101.63 31.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.835 0.35 . . . . 10.0 111.747 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.9 -47.25 87.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.524 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -93.42 -4.5 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.582 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 27' ' ' VAL . 34.2 tp -71.7 -29.86 65.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.621 0.248 . . . . 10.0 111.189 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.93 -41.27 95.88 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.036 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 50.2 p -73.57 -26.72 60.96 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.827 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -73.55 -31.39 63.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.357 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 23' ' ' LEU . 92.4 t -72.61 -40.47 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.762 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 20.2 p -71.79 -30.44 65.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.097 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -38.03 71.81 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.089 0.471 . . . . 10.0 110.111 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.23 -24.41 51.21 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.988 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 65.0 tp -72.9 -42.33 63.68 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.764 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.5 -31.6 68.76 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.411 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -31.13 66.51 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.309 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -76.35 -34.72 58.96 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.752 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.27 -21.23 58.68 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.684 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.97 15.0 25.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.814 0.34 . . . . 10.0 111.059 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 11.0 tptm -137.68 135.58 19.21 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.868 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 35.2 Cg_exo -62.05 -60.52 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.855 2.37 . . . . 10.0 112.016 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.2 p -157.03 125.23 5.59 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.98 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.454 ' CG ' ' HB2' ' B' ' 43' ' ' LEU . 2.7 p30 -137.2 117.84 10.73 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 10.0 112.058 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.23 -28.8 64.24 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.647 2.231 . . . . 10.0 112.557 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.17 -50.52 22.12 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.454 ' HB2' ' CG ' ' B' ' 40' ' ' ASP . 3.8 mm? -72.54 -21.09 61.22 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 40' ' ' ASP . 0.2 OUTLIER -71.18 -42.01 69.61 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 179.124 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.68 -31.14 63.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.726 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.71 -51.16 24.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.869 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -64.45 -33.07 75.02 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.408 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -63.06 -46.05 89.33 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.064 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 38.8 t -70.57 -38.73 74.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.991 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.468 ' HD3' ' OE1' ' B' ' 53' ' ' GLU . 65.2 mmtt -70.61 -27.43 64.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.005 -0.543 . . . . 10.0 112.012 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 51' ' ' LEU . 7.7 mt -74.23 -29.99 61.96 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -70.74 -30.65 67.23 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.935 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.468 ' OE1' ' HD3' ' B' ' 50' ' ' LYS . 31.9 mt-10 -73.87 -36.25 64.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.849 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -69.43 -33.08 72.43 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.535 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 61.2 t30 -70.22 -25.62 63.48 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.798 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -69.88 -42.19 73.78 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.048 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.84 -49.77 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.379 -0.828 . . . . 10.0 112.162 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -30.83 67.69 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.241 0.83 . . . . 10.0 113.241 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 0.1 OUTLIER -78.57 -61.04 2.14 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 113.855 1.057 . . . . 10.0 113.855 -178.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.1 60.8 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 117.649 0.204 . . . . 10.0 111.277 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -66.26 -48.24 71.09 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.482 0.182 . . . . 10.0 111.196 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.421 ' HA ' HG12 ' B' ' 65' ' ' VAL . 91.8 p -70.93 -26.38 63.17 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.057 0.456 . . . . 10.0 111.09 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.983 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 88.8 m-20 -71.52 -47.24 56.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.169 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -67.82 -40.94 83.74 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.106 0.41 . . . . 10.0 112.106 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' B' ' 62' ' ' SER . 9.9 p -68.08 -22.19 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 120.768 0.318 . . . . 10.0 111.673 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -79.26 -47.89 15.12 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.138 0.421 . . . . 10.0 112.138 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 63' ' ' ASN . 0.4 OUTLIER -72.61 -31.22 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.226 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -72.15 -39.18 68.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -69.08 -34.95 75.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.848 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -52.21 64.76 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.84 -29.65 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 120.78 0.324 . . . . 10.0 111.716 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -72.1 -30.92 65.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.529 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.33 -31.1 69.33 Favored 'General case' 0 N--CA 1.458 -0.063 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.334 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.74 81.8 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.652 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.7 mt -67.58 -45.17 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.771 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.63 -37.34 77.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.173 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.52 -24.02 63.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.923 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -72.58 -33.8 67.0 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.998 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.73 93.68 3.15 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.526 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.181 -0.914 . . . . 10.0 110.875 -179.414 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.722 0.296 . . . . 10.0 111.074 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.6 138.78 33.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 29.7 p -100.48 126.15 36.81 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.2 159.8 46.53 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.963 2.442 . . . . 10.0 112.835 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.79 111.27 14.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -94.73 109.43 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.537 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.35 141.53 8.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.039 -0.601 . . . . 10.0 112.079 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' TYR . . . . . 0.408 ' O ' HG23 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -66.84 -46.16 75.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.744 0.307 . . . . 10.0 111.588 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.656 ' H ' HD23 ' C' ' 9' ' ' LEU . 0.6 OUTLIER -69.63 -35.09 74.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.623 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.33 -31.57 65.77 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.78 -38.02 82.84 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.225 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.568 HG11 HG21 ' C' ' 64' ' ' THR . 50.6 t -67.21 -39.16 82.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.871 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -67.59 -45.74 74.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.091 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.89 -23.48 62.3 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.399 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.32 -35.96 76.47 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.332 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.521 ' O ' HG22 ' C' ' 20' ' ' VAL . 20.8 m-85 -75.26 -29.0 60.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.465 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -64.98 -38.98 92.76 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.106 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -66.43 -31.54 72.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.951 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.85 -43.22 23.31 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.856 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.521 HG22 ' O ' ' C' ' 16' ' ' PHE . 28.1 m -101.53 31.3 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 111.949 0.352 . . . . 10.0 111.949 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -60.9 -56.43 21.22 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.507 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -89.56 -5.19 57.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.051 0.453 . . . . 10.0 111.008 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.492 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.2 tm? -70.67 -33.91 71.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.251 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -61.77 -41.58 97.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.461 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 38.8 p -71.75 -26.33 62.41 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.083 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -72.98 -29.14 62.83 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.264 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.492 HG23 ' O ' ' C' ' 23' ' ' LEU . 58.6 t -71.2 -44.13 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.451 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 19.3 p -70.88 -31.71 68.46 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.606 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -40.37 76.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.915 0.388 . . . . 10.0 110.637 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.11 -24.47 51.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.197 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.09 -44.29 65.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.756 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 -30.94 67.78 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.84 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -40.32 86.49 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.864 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -77.13 -31.67 55.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.84 -34.17 72.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 10.0 112.242 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.48 23.65 13.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.682 0.623 . . . . 10.0 112.682 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -130.65 119.78 18.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.38 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.417 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 84.8 Cg_exo -49.09 -68.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.413 2.742 . . . . 10.0 113.226 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 20.6 p -151.9 124.35 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.145 0.498 . . . . 10.0 112.083 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.424 ' CG ' ' HB2' ' C' ' 43' ' ' LEU . 1.0 OUTLIER -138.44 117.83 9.66 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.173 179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.35 -28.47 63.2 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.683 2.255 . . . . 10.0 112.498 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.12 -48.86 21.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.357 0.503 . . . . 10.0 112.357 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' C' ' 43' ' ' LEU . 3.7 mm? -72.65 -21.72 61.05 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' C' ' 40' ' ' ASP . 0.2 OUTLIER -70.72 -42.57 70.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.164 179.249 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.68 -30.18 62.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.879 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.42 -45.41 62.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.051 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -70.9 -33.16 70.27 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.214 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -61.33 -46.59 89.62 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.146 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 34.1 t -69.98 -38.95 76.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -72.48 -26.21 61.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 10.0 112.265 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -42.91 74.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.769 0.319 . . . . 10.0 111.012 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -74.23 -28.63 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.551 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.68 -36.5 78.9 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -74.92 -36.23 62.17 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.331 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -63.24 -43.41 98.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.146 -0.934 . . . . 10.0 111.072 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.81 -33.89 74.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.427 0.528 . . . . 10.0 112.427 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -47.65 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 10.0 111.284 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' D' ' 42' ' ' ALA . 0.5 OUTLIER -69.17 -37.07 77.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.938 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' C' ' 63' ' ' ASN . 50.5 t30 -72.46 -25.2 61.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.513 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.29 -30.75 62.23 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.719 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -72.72 -44.71 61.34 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.993 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 37.2 p -70.78 -23.65 62.44 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' C' ' 59' ' ' ASN . 0.5 OUTLIER -75.95 -50.83 13.85 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.628 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 64' ' ' THR . . . . . 0.568 HG21 HG11 ' C' ' 12' ' ' VAL . 18.3 p -64.4 -37.83 88.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.908 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 7.5 p -74.32 -20.88 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.604 -0.271 . . . . 10.0 110.879 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -82.4 -48.49 11.07 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.2 0.445 . . . . 10.0 112.2 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' VAL . . . . . 0.418 HG22 ' O ' ' C' ' 63' ' ' ASN . 18.0 m -71.93 -35.74 55.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -74.01 -34.66 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.226 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.95 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 0.1 OUTLIER -72.63 -35.88 67.91 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.598 0.592 . . . . 10.0 112.598 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -48.96 76.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.69 0.281 . . . . 10.0 111.351 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 15.2 tt -69.11 -36.74 74.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.765 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' ASP . . . . . 0.419 ' HB3' ' HE2' ' C' ' 69' ' ' LYS . 24.5 t70 -71.12 -27.47 63.61 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.338 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.78 79.81 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.51 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.46 73.65 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.895 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 71.1 mt -71.34 -46.38 65.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.569 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' ILE . . . . . 0.52 ' HA ' ' HD2' ' C' ' 79' ' ' PHE . 1.0 OUTLIER -66.99 -30.12 48.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.616 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -76.26 -21.92 55.74 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.093 0.473 . . . . 10.0 109.927 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -70.33 -31.39 68.66 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.246 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' PHE . . . . . 0.52 ' HD2' ' HA ' ' C' ' 76' ' ' ILE . 55.5 m-85 -71.02 90.85 0.85 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.632 -0.713 . . . . 10.0 111.214 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 80' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' C' ' 80' ' ' ARG . 10.1 mtm180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.318 -0.848 . . . . 10.0 111.03 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.76 0.314 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.0 137.46 32.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 22.9 p -99.4 119.26 60.74 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.002 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.73 144.16 64.54 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.748 2.299 . . . . 10.0 112.21 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -71.79 111.47 7.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.585 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -93.6 113.42 25.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.537 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.23 139.94 7.14 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.692 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -47.33 72.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.631 0.253 . . . . 10.0 111.645 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.662 ' H ' HD23 ' D' ' 9' ' ' LEU . 1.5 pt? -71.8 -31.27 66.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.511 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -72.55 -32.08 65.79 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.847 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.87 -39.76 83.69 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.452 HG11 HG21 ' D' ' 64' ' ' THR . 52.5 t -64.45 -38.84 83.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.527 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 43.2 m -67.79 -39.4 84.04 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.574 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.87 62.48 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.331 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -66.78 -39.7 87.91 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.571 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.501 ' O ' HG22 ' D' ' 20' ' ' VAL . 23.7 m-85 -75.97 -31.9 59.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.764 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.14 -39.51 94.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.747 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.3 m -74.77 -30.79 61.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.27 -52.15 18.95 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.905 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' D' ' 16' ' ' PHE . 29.0 m -99.47 32.28 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.822 0.344 . . . . 10.0 111.888 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.31 -53.73 54.88 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.632 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -85.24 -8.96 58.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.466 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.501 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 2.3 tt -71.39 -30.27 65.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.975 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -62.1 -41.08 97.84 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.051 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 61.2 p -73.58 -26.64 60.91 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.933 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -73.83 -30.4 62.67 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.28 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.41 HG23 ' O ' ' D' ' 23' ' ' LEU . 77.4 t -72.34 -41.97 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.777 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -72.09 -28.27 63.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.545 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -39.54 66.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.952 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.14 -25.99 52.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.464 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.401 HD13 ' CZ ' ' D' ' 47' ' ' TYR . 31.8 tp -71.61 -41.95 68.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.774 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.13 -31.01 67.2 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.433 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' D' ' 33' ' ' LYS . 3.0 tppt? -69.48 -38.53 77.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.368 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.75 -25.5 61.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.96 -0.563 . . . . 10.0 111.384 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.06 -48.02 71.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.42 20.86 8.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.748 1.018 . . . . 10.0 113.748 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' LYS . . . . . 0.414 ' HB3' ' OD1' ' D' ' 40' ' ' ASP . 2.0 mmmp? -138.82 100.51 8.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 178.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.734 ' HG2' ' CH2' ' A' ' 5' ' ' TRP . 73.5 Cg_exo -52.58 -76.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.08 2.52 . . . . 10.0 113.767 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 39' ' ' SER . . . . . 0.471 ' HB2' HD22 ' A' ' 9' ' ' LEU . 2.5 m -103.67 124.45 48.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.748 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.1 OUTLIER -136.57 119.89 12.13 Favored Pre-proline 0 N--CA 1.448 -0.549 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.687 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 34.5 Cg_endo -66.88 -44.04 6.06 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.201 1.934 . . . . 10.0 110.424 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.595 ' HA ' ' NH1' ' C' ' 58' ' ' ARG . . . -77.75 -56.82 4.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.698 -1.137 . . . . 10.0 113.876 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.4 -39.91 95.79 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.915 1.08 . . . . 10.0 113.915 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.748 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -69.78 -38.39 76.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 45' ' ' ALA . . . . . 0.615 ' HB2' HD12 ' A' ' 75' ' ' ILE . . . -73.69 -36.38 65.27 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.801 0.334 . . . . 10.0 111.216 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.56 82.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.895 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' TYR . . . . . 0.401 ' CZ ' HD13 ' D' ' 31' ' ' LEU . 30.2 t80 -69.91 -32.14 70.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.147 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -57.8 -47.48 82.45 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.829 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -74.54 -38.62 62.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 10.0 112.114 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 50' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 70.3 mmtt -71.87 -29.01 63.92 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tt -74.62 -37.17 62.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.535 0.207 . . . . 10.0 110.53 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 95.2 p -70.07 -28.04 65.11 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.97 -36.97 80.95 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -72.03 -31.38 66.12 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.526 -0.916 . . . . 10.0 108.526 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.85 -39.18 90.95 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.49 -1.232 . . . . 10.0 110.542 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' D' ' 56' ' ' LEU . 0.8 OUTLIER -75.2 -29.58 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.272 0.841 . . . . 10.0 113.272 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -63.2 -41.69 99.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.12 0.486 . . . . 10.0 110.328 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 58' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' D' ' 58' ' ' ARG . 0.7 OUTLIER -80.23 -33.9 37.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.391 -179.184 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -76.49 -48.14 20.53 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.31 -36.73 83.07 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.614 0.227 . . . . 10.0 111.614 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.32 -41.84 84.63 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.748 0.308 . . . . 10.0 110.684 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 99.2 p -71.51 -24.7 62.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.769 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.458 ' O ' HG23 ' D' ' 67' ' ' VAL . 4.0 m-80 -76.45 -39.93 51.96 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.507 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 64' ' ' THR . . . . . 0.452 HG21 HG11 ' D' ' 12' ' ' VAL . 17.5 p -68.53 -37.96 80.44 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.76 -28.05 26.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.06 0.457 . . . . 10.0 110.197 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -47.91 60.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.452 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.458 HG23 ' O ' ' D' ' 63' ' ' ASN . 40.2 t -69.3 -43.31 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.828 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.07 -46.36 81.49 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.817 0.673 . . . . 10.0 112.817 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' D' ' 69' ' ' LYS . 4.2 mmmt -65.18 -35.36 80.83 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -50.97 65.7 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.252 0.464 . . . . 10.0 112.252 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 pt -71.02 -30.3 40.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.627 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.13 -32.28 66.79 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.639 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.36 -34.04 76.47 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.585 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.72 80.6 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.905 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 54.8 mt -69.5 -41.65 80.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.856 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.25 -34.92 72.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.752 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.38 -27.07 65.0 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.861 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -69.08 -35.8 76.9 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.695 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -72.21 94.59 1.58 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.63 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.217 -0.897 . . . . 10.0 110.831 -179.463 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.802 0.334 . . . . 10.0 111.43 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.1 142.64 32.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m -93.84 120.4 65.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.36 146.42 56.41 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.718 2.279 . . . . 10.0 111.992 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.474 ' HH2' ' HZ2' ' B' ' 50' ' ' LYS . 80.7 t90 -71.53 110.8 6.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.168 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -147.44 138.45 23.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.29 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.27 169.3 22.26 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.077 -0.809 . . . . 10.0 111.077 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -66.91 -32.35 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.007 0.403 . . . . 10.0 111.592 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -74.76 -33.33 62.28 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.971 179.028 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.413 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 20.6 m-20 -72.49 -28.6 63.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.26 -39.93 71.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.473 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.618 HG11 HG21 ' A' ' 64' ' ' THR . 73.3 t -69.32 -35.43 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.501 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 m -66.83 -47.76 71.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.034 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -22.99 63.9 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.462 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -64.77 -48.53 74.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.129 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' ' 20' ' ' VAL . 36.8 m-85 -77.44 -27.97 52.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.656 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -63.5 -50.65 68.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 m -71.95 -23.3 61.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.128 0.489 . . . . 10.0 109.876 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.73 -49.38 43.35 Favored Glycine 0 C--N 1.335 0.503 0 CA-C-N 115.545 -0.752 . . . . 10.0 113.068 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 16' ' ' PHE . 27.3 m -111.42 32.12 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -59.12 -47.58 84.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.76 0.314 . . . . 10.0 111.693 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -94.18 2.62 55.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.962 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -69.2 -40.97 77.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.249 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -58.81 -36.2 74.1 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.104 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -72.93 -27.94 62.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.682 0.277 . . . . 10.0 110.824 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.59 -27.17 60.36 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.765 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 23' ' ' LEU . 46.2 t -68.74 -46.33 79.75 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.365 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -71.37 -25.37 62.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.919 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.27 -44.23 59.66 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.04 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.06 -25.71 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.262 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.84 -35.93 67.34 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.722 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.12 -39.8 82.65 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.945 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -25.75 62.57 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.2 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -31.42 63.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.199 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.97 -28.57 63.52 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.79 8.1 45.34 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.806 0.298 . . . . 10.0 111.806 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.482 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 7.0 mptt -124.6 135.88 27.16 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.563 -0.289 . . . . 10.0 111.773 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 17.1 Cg_exo -69.23 -68.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.915 2.41 . . . . 10.0 111.903 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -142.18 124.21 15.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.899 0.381 . . . . 10.0 111.232 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -137.91 117.34 9.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.666 179.291 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.66 -33.01 56.74 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.637 2.224 . . . . 10.0 112.856 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.07 -46.97 31.17 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . 3.7 mm? -72.29 -22.2 61.24 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.9 tp -74.15 -38.51 63.7 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.804 0.335 . . . . 10.0 110.149 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -32.8 63.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.655 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.91 -42.01 70.47 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.974 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -72.3 -33.65 67.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.859 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -65.8 -41.65 91.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.48 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 48.9 m -75.3 -45.6 38.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.72 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.18 -33.11 75.23 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.101 0.778 . . . . 10.0 113.101 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 tp -73.47 -33.3 64.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.026 0.441 . . . . 10.0 110.003 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.3 m -73.84 -33.53 64.15 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.009 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 49' ' ' SER . 42.8 mt-10 -65.37 -37.43 87.01 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.182 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -68.24 -34.12 75.65 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.072 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.7 -44.64 73.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.551 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.6 mm? -70.0 -31.18 68.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -46.33 65.17 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.609 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.53 HH22 ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -67.67 -37.06 81.83 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.359 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 91.9 m-20 -71.49 -26.95 62.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.278 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.21 -32.61 63.1 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.892 0.377 . . . . 10.0 110.579 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -71.74 -47.06 56.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.884 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.53 ' HB3' HH22 ' A' ' 58' ' ' ARG . 26.7 p -71.12 -22.3 62.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.811 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.594 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 1.6 t-20 -76.44 -45.59 30.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.618 HG21 HG11 ' A' ' 12' ' ' VAL . 30.0 p -66.95 -37.81 84.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.893 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.06 -40.89 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.749 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -68.59 -48.41 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.353 0.871 . . . . 10.0 113.353 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 71' ' ' ILE . 24.4 t -68.22 -46.29 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 111.839 0.311 . . . . 10.0 111.839 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.745 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 84.7 t80 -60.63 -35.02 75.14 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.28 0.363 . . . . 10.0 111.845 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.482 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -69.87 -35.47 74.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.647 179.227 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -69.92 -32.45 70.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.536 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.652 HG13 ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -67.46 -54.87 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 CA-C-O 121.112 0.482 . . . . 10.0 110.133 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -59.76 -29.95 68.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.898 -1.046 . . . . 10.0 113.255 -178.864 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' ' 76' ' ' ILE . . . -78.35 -27.69 47.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.656 0.265 . . . . 10.0 111.443 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.0 -39.91 65.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.551 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.422 HD11 ' NH1' ' C' ' 58' ' ' ARG . 5.1 mt -74.07 -38.28 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.275 0.559 . . . . 10.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 1.094 HD12 HD21 ' D' ' 44' ' ' LEU . 0.1 OUTLIER -63.53 -36.48 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.176 -0.92 . . . . 10.0 111.686 -179.375 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -84.41 -20.58 31.63 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.765 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.41 -17.41 60.19 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.611 ' CZ ' HD23 ' D' ' 51' ' ' LEU . 7.1 t80 -88.3 123.23 32.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.124 -0.943 . . . . 10.0 108.844 177.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.041 -0.98 . . . . 10.0 111.609 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.72 0.295 . . . . 10.0 111.045 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.1 147.1 24.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 18.7 m -97.08 117.0 66.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.674 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.83 139.72 53.01 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.812 2.341 . . . . 10.0 112.327 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -74.4 112.01 10.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -160.25 125.57 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.216 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.67 -179.68 19.09 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.943 -0.646 . . . . 10.0 111.927 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.589 ' O ' HG23 ' B' ' 12' ' ' VAL . 62.4 m-85 -67.0 -36.14 81.51 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.794 0.294 . . . . 10.0 111.794 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -34.74 63.53 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.015 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -71.88 -28.11 63.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.297 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' B' ' 15' ' ' LYS . 38.9 t70 -70.06 -41.45 74.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.943 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.606 HG22 HD11 ' D' ' 31' ' ' LEU . 34.4 t -65.09 -36.2 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.974 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -64.28 -53.59 46.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.137 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 -23.01 64.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.216 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.622 ' HE2' ' HA ' ' D' ' 32' ' ' ASP . 3.2 tptt -62.88 -54.07 44.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.615 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.446 ' O ' HG22 ' B' ' 20' ' ' VAL . 41.7 m-85 -73.61 -27.89 61.52 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.587 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -62.05 -52.84 62.33 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.804 1.039 . . . . 10.0 113.804 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -65.69 -23.14 66.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.222 0.534 . . . . 10.0 110.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.6 -52.77 11.36 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 115.484 -0.78 . . . . 10.0 114.851 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.446 HG22 ' O ' ' B' ' 16' ' ' PHE . 6.8 m -108.86 31.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 111.878 0.325 . . . . 10.0 111.878 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.95 -48.18 82.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.956 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -92.28 -0.21 57.41 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.297 0.48 . . . . 10.0 112.297 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 27' ' ' VAL . 31.3 tp -70.03 -29.67 66.77 Favored 'General case' 0 C--O 1.228 -0.071 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.943 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.61 -35.74 81.69 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.976 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.4 p -72.71 -26.63 61.66 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.261 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.42 -26.91 60.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.753 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 23' ' ' LEU . 29.0 t -69.92 -45.73 75.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.358 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 32.6 p -70.84 -27.96 64.24 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.75 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.57 -43.17 63.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.035 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.13 -26.32 61.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -73.04 -36.29 66.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.822 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.84 -39.46 79.93 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.815 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -27.65 63.61 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.152 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 66.0 tp -74.36 -33.6 63.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.011 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.77 59.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.603 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.67 5.92 43.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.507 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.8 mptt -124.69 139.62 33.69 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.305 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 17.3 Cg_exo -69.27 -56.59 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.854 2.369 . . . . 10.0 111.806 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.97 126.28 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.097 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.18 107.49 9.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.2 -34.85 43.97 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.457 2.104 . . . . 10.0 112.05 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.24 -46.19 35.34 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.991 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.48 -21.06 61.27 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.2 tp -71.85 -40.07 69.27 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.918 0.39 . . . . 10.0 110.147 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.96 -31.78 63.17 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.26 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.8 67.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.813 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -70.48 -33.53 71.34 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.644 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -64.99 -39.14 93.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.42 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 45.9 m -70.57 -47.83 58.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.044 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.474 ' HZ2' ' HH2' ' A' ' 5' ' ' TRP . 57.0 mmtt -66.72 -39.09 87.86 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.89 -44.87 79.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.151 0.5 . . . . 10.0 110.745 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.602 ' O ' HD22 ' B' ' 56' ' ' LEU . 46.4 m -71.5 -30.01 65.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.545 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -63.47 -37.03 85.72 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.981 0.419 . . . . 10.0 110.177 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -67.39 -31.79 72.24 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.169 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.41 -34.88 70.74 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.3 -0.863 . . . . 10.0 110.672 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.602 HD22 ' O ' ' B' ' 52' ' ' SER . 0.0 OUTLIER -70.38 -34.28 72.4 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.897 0.38 . . . . 10.0 110.646 179.758 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -47.75 39.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.006 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 58' ' ' ARG . 0.1 OUTLIER -63.15 -39.49 94.82 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.107 -179.319 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -71.59 -33.59 69.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.58 85.54 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.873 0.368 . . . . 10.0 110.411 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -66.44 -43.73 84.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.766 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 66.8 p -71.79 -29.41 64.44 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.965 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.456 ' O ' HG23 ' B' ' 67' ' ' VAL . 2.5 m-80 -73.7 -41.76 62.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.814 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 41.3 p -69.31 -41.79 76.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 m -72.51 -27.91 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 N-CA-C 112.902 0.704 . . . . 10.0 112.902 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -75.42 -47.57 26.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.674 0.25 . . . . 10.0 111.674 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.674 ' O ' HG13 ' B' ' 71' ' ' ILE . 38.1 t -66.33 -50.64 66.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.736 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' PHE . . . . . 0.804 ' HA ' HD12 ' B' ' 71' ' ' ILE . 52.8 t80 -57.78 -35.56 70.96 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.501 ' HA ' ' HD3' ' B' ' 69' ' ' LYS . 24.1 mmtm -69.07 -35.12 76.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.649 -0.25 . . . . 10.0 111.615 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.48 -29.61 59.63 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.056 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' B' ' 68' ' ' PHE . 57.2 mt -66.64 -52.95 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.126 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.13 -29.18 68.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.213 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.43 70.54 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.72 0.295 . . . . 10.0 110.754 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.18 -33.24 67.52 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.722 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.645 HG12 ' NH1' ' D' ' 58' ' ' ARG . 8.1 mt -70.67 -39.94 76.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.676 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.7 -38.63 76.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.262 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -76.39 -24.27 54.08 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.44 -20.29 37.25 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.368 . . . . 10.0 110.849 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -90.86 118.35 30.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.583 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.246 -0.883 . . . . 10.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 19.6 mmt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.734 0.302 . . . . 10.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.06 146.32 29.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.368 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 15.8 m -107.56 116.74 57.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.672 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.69 160.39 43.94 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.825 2.35 . . . . 10.0 112.491 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -76.92 110.95 11.95 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -145.98 137.68 24.99 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.656 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.97 177.91 19.87 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.84 -0.695 . . . . 10.0 112.076 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -67.29 -33.12 74.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.712 0.292 . . . . 10.0 111.452 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' C' ' 10' ' ' ASP . 0.6 OUTLIER -74.63 -34.4 62.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.894 179.578 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.449 ' N ' ' HG ' ' C' ' 9' ' ' LEU . 17.6 m-20 -72.16 -30.01 64.59 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.404 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.45 -39.18 71.16 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.81 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.475 HG11 HG21 ' C' ' 64' ' ' THR . 84.9 t -71.3 -37.32 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.95 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 68.5 m -66.18 -48.67 69.94 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.029 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.01 65.57 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.678 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' C' ' 15' ' ' LYS . 8.0 tppt? -66.02 -45.77 80.29 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.567 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.524 ' O ' HG22 ' C' ' 20' ' ' VAL . 36.5 m-85 -77.75 -28.94 50.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.862 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -64.88 -43.14 93.9 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.328 0.492 . . . . 10.0 112.328 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -77.13 -25.1 51.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.352 . . . . 10.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.57 -42.45 55.16 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.042 -0.599 . . . . 10.0 112.961 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.524 HG22 ' O ' ' C' ' 16' ' ' PHE . 34.8 m -110.33 30.55 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.25 -49.49 77.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.322 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' C' ' 26' ' ' GLN . 23.5 m-80 -97.72 4.09 50.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.588 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.471 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.1 tm? -70.29 -39.85 74.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.52 -34.48 75.6 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.827 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 42.6 p -73.08 -27.34 61.66 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.579 -0.282 . . . . 10.0 110.715 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' C' ' 22' ' ' ASN . 31.7 mm-40 -75.85 -25.43 56.2 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.642 178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.471 HG23 ' O ' ' C' ' 23' ' ' LEU . 64.2 t -69.42 -46.68 75.86 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.051 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.396 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 24.7 p -70.68 -25.46 62.99 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.342 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.477 ' O ' ' HD2' ' C' ' 33' ' ' LYS . 4.8 mm-40 -72.63 -44.83 61.4 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.229 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.46 60.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.96 0.41 . . . . 10.0 110.774 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 60.3 tp -72.83 -36.88 67.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.812 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.63 -34.1 73.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.16 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.621 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 0.1 OUTLIER -70.77 -41.65 71.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.312 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' C' ' 34' ' ' LEU . 0.2 OUTLIER -71.41 -26.38 62.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.359 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.5 -35.12 69.81 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.526 0.565 . . . . 10.0 112.526 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.39 24.49 8.66 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.621 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 0.2 OUTLIER -115.13 127.86 26.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.0 178.607 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.21 -74.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.452 2.768 . . . . 10.0 113.897 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 58.4 m -147.92 125.81 11.98 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.476 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.73 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 1.9 m-20 -133.02 110.05 12.92 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.753 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -64.24 -34.54 55.87 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.248 1.966 . . . . 10.0 111.503 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -43.05 52.28 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.752 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.8 mm? -72.38 -24.09 61.21 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 35.3 tp -72.82 -38.73 67.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.853 0.359 . . . . 10.0 110.583 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.85 -32.57 63.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.762 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.78 -36.86 65.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.331 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -72.53 -40.63 66.6 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -68.24 -33.05 73.69 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 68.7 m -76.52 -42.8 41.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.3 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.96 -31.57 69.36 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 51.3 tp -75.21 -34.17 61.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.328 . . . . 10.0 110.606 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 69.6 m -73.38 -31.09 63.71 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.95 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -63.2 -36.22 82.9 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.624 -0.88 . . . . 10.0 108.624 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' C' ' 58' ' ' ARG . 70.9 t80 -67.75 -38.23 83.19 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.547 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.83 -44.2 81.74 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.414 -0.812 . . . . 10.0 111.652 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.3 mm? -73.68 -38.43 64.91 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.2 0.815 . . . . 10.0 113.2 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 57' ' ' TYR . . . . . 0.436 ' HD1' ' HB3' ' C' ' 16' ' ' PHE . 0.0 OUTLIER -65.46 -43.06 91.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.184 0.516 . . . . 10.0 110.376 179.392 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.488 HH11 ' HB3' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -70.61 -45.26 65.59 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.393 -0.821 . . . . 10.0 111.911 -178.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' C' ' 63' ' ' ASN . 79.3 m-20 -65.06 -23.16 67.1 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.588 0.232 . . . . 10.0 111.193 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.3 58.55 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.285 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.606 ' O ' HG23 ' C' ' 65' ' ' VAL . 18.5 mm-40 -67.59 -50.2 59.43 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.426 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 62' ' ' SER . . . . . 0.434 ' HB3' HH22 ' C' ' 58' ' ' ARG . 11.0 p -67.74 -26.37 66.1 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.214 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 63' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' C' ' 59' ' ' ASN . 1.4 t-20 -72.25 -50.27 28.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.768 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 64' ' ' THR . . . . . 0.475 HG21 HG11 ' C' ' 12' ' ' VAL . 28.8 p -63.33 -37.27 86.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.648 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.69 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 71.9 t -61.52 -62.6 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.873 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -43.9 79.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 114.472 1.286 . . . . 10.0 114.472 -178.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.02 -46.02 97.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.265 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -68.61 -34.61 76.07 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.502 -0.317 . . . . 10.0 111.733 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.69 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 11.3 mmpt? -70.75 -35.47 72.67 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.508 0.194 . . . . 10.0 111.333 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -71.22 -32.66 69.07 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.58 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 98.4 mt -70.44 -46.45 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.143 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -30.46 70.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.327 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.99 -27.8 49.12 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.471 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.13 -40.26 62.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.867 0.365 . . . . 10.0 110.897 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 57.2 mt -74.64 -33.93 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.677 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 3.3 tp -70.0 -32.32 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.031 -0.531 . . . . 10.0 112.248 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -83.54 -21.28 32.75 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.844 0.354 . . . . 10.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -78.99 -21.89 46.37 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.114 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -91.97 117.12 29.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.775 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.25 -0.881 . . . . 10.0 111.132 -179.823 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.774 0.321 . . . . 10.0 111.087 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.3 146.56 24.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.187 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 19.0 m -96.6 116.43 66.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.627 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.69 143.66 62.82 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.723 2.282 . . . . 10.0 112.16 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -72.76 111.11 7.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.549 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -147.93 137.04 22.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.021 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.7 170.58 19.89 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.983 -0.627 . . . . 10.0 111.766 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -66.94 -36.53 82.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.665 0.269 . . . . 10.0 111.521 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.533 ' H ' HD23 ' D' ' 9' ' ' LEU . 1.1 pt? -74.81 -32.45 61.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.943 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.41 -29.37 63.67 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' D' ' 15' ' ' LYS . 30.3 t70 -70.78 -43.95 67.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.66 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.524 HG11 HG21 ' D' ' 64' ' ' THR . 65.3 t -63.15 -37.89 80.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.846 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -66.95 -43.92 81.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.022 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.59 67.67 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.325 -0.398 . . . . 10.0 112.053 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' D' ' 11' ' ' ASP . 23.2 mmtp -67.94 -42.35 81.1 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.753 0.311 . . . . 10.0 111.162 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.462 ' O ' HG22 ' D' ' 20' ' ' VAL . 29.3 m-85 -78.16 -33.86 50.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.798 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -64.9 -50.55 66.08 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.195 0.442 . . . . 10.0 112.195 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.5 m -77.95 -23.65 48.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.923 0.392 . . . . 10.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.08 -50.57 39.2 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.927 -0.579 . . . . 10.0 113.327 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.462 HG22 ' O ' ' D' ' 16' ' ' PHE . 35.9 m -110.59 33.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.97 0.414 . . . . 10.0 111.494 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.37 -40.15 85.58 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.679 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -91.55 -0.48 57.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.845 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.476 ' O ' HG23 ' D' ' 27' ' ' VAL . 14.7 tp -70.49 -33.75 71.58 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.661 -0.245 . . . . 10.0 110.856 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.7 -36.38 83.46 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.651 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 61.5 p -73.12 -26.82 61.37 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.759 0.314 . . . . 10.0 110.797 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -75.22 -27.87 59.71 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.213 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.476 HG23 ' O ' ' D' ' 23' ' ' LEU . 88.8 t -72.4 -41.95 64.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.611 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.1 p -71.52 -24.89 62.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.565 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.23 -46.72 48.63 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.653 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.06 -30.72 68.05 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.944 0.402 . . . . 10.0 110.932 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.606 HD11 HG22 ' B' ' 12' ' ' VAL . 26.5 tp -68.36 -36.34 79.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ASP . . . . . 0.622 ' HA ' ' HE2' ' B' ' 15' ' ' LYS . 32.1 t70 -70.03 -36.36 74.98 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.651 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -25.53 62.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.468 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' D' ' 34' ' ' LEU . 12.0 mt -66.29 -24.1 66.49 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.696 0.999 . . . . 10.0 113.696 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' B' ' 15' ' ' LYS . . . -50.88 -55.65 16.05 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.71 22.87 12.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.273 0.842 . . . . 10.0 113.273 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' LYS . . . . . 0.508 ' HB3' ' OD2' ' D' ' 40' ' ' ASP . 15.5 mmtp -126.28 100.43 29.56 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 114.927 -1.033 . . . . 10.0 108.599 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -62.06 -74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.479 2.786 . . . . 10.0 113.46 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -120.35 123.88 44.17 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.801 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 6.6 m-20 -138.6 135.63 18.15 Favored Pre-proline 0 C--O 1.22 -0.483 0 N-CA-C 114.03 1.122 . . . . 10.0 114.03 -177.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.745 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 49.3 Cg_endo -71.4 -46.14 0.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.994 2.463 . . . . 10.0 111.313 176.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.24 -53.42 7.34 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-N 115.098 -0.955 . . . . 10.0 113.201 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' D' ' 40' ' ' ASP . 3.4 mm? -59.01 -29.63 67.39 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 1.094 HD21 HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -79.28 -33.97 42.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.923 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 45' ' ' ALA . . . . . 0.431 ' HB2' ' NE ' ' C' ' 58' ' ' ARG . . . -68.66 -45.64 71.22 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.502 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.24 91.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.953 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -71.24 -33.98 70.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.985 0.365 . . . . 10.0 111.985 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -65.89 -45.43 82.04 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 10.0 111.366 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 28.5 m -76.41 -40.6 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 50' ' ' LYS . . . . . 0.476 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 63.5 mmtt -68.37 -32.51 72.65 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.611 HD23 ' CZ ' ' A' ' 79' ' ' PHE . 13.0 tp -73.76 -35.37 64.99 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.981 -0.288 . . . . 10.0 110.622 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 55.0 m -74.3 -29.86 61.82 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.464 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -68.24 -36.95 80.27 Favored 'General case' 0 N--CA 1.46 0.053 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -69.91 -31.37 69.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.987 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -64.77 -55.09 21.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.357 -0.838 . . . . 10.0 112.459 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.28 -27.22 63.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.206 0.817 . . . . 10.0 113.206 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -44.99 95.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 10.0 109.875 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 58' ' ' ARG . . . . . 0.711 HH22 ' HB3' ' D' ' 62' ' ' SER . 0.0 OUTLIER -75.58 -39.33 58.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.796 -179.549 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 59' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' D' ' 63' ' ' ASN . 96.3 m-20 -67.05 -29.5 69.32 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.789 0.292 . . . . 10.0 111.789 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.13 -30.17 55.03 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.544 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -69.44 -48.52 60.63 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.887 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 62' ' ' SER . . . . . 0.711 ' HB3' HH22 ' D' ' 58' ' ' ARG . 39.1 p -71.32 -20.12 62.23 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.728 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' D' ' 59' ' ' ASN . 14.6 t-20 -76.25 -47.03 25.32 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 64' ' ' THR . . . . . 0.524 HG21 HG11 ' D' ' 12' ' ' VAL . 21.0 p -64.25 -37.94 89.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.693 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 65' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' D' ' 69' ' ' LYS . 60.1 t -69.43 -34.2 61.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.475 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -70.11 -47.57 61.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.871 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 43.6 t -70.19 -48.7 60.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.43 -36.52 76.05 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' D' ' 65' ' ' VAL . 0.2 OUTLIER -72.7 -35.27 67.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.591 0.219 . . . . 10.0 111.591 179.375 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -68.2 -39.84 82.32 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 24.1 pt -73.53 -35.02 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.3 -33.7 69.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.959 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.4 -25.12 54.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.068 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.12 -36.72 69.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.908 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 56.4 mt -74.62 -34.19 34.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 mp -68.83 -36.03 72.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.816 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -81.16 -20.88 40.32 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -82.78 -19.55 37.56 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.929 0.395 . . . . 10.0 110.856 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -83.84 124.52 31.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.115 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.203 -0.904 . . . . 10.0 111.019 179.692 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.855 0.359 . . . . 10.0 111.147 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.1 148.34 37.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.089 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -106.7 115.13 61.03 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.9 155.64 53.11 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.693 2.262 . . . . 10.0 112.358 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.6 t90 -68.39 116.77 9.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -110.33 152.57 26.05 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.93 143.37 8.88 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.703 -0.76 . . . . 10.0 113.737 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 12' ' ' VAL . 15.9 m-85 -67.4 -33.05 74.38 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.869 0.366 . . . . 10.0 110.797 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.743 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -65.23 -38.36 90.13 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.879 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -73.03 -28.58 62.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.907 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.64 -36.64 78.88 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.539 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 8' ' ' TYR . 34.3 t -71.38 -37.13 63.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 120.857 0.36 . . . . 10.0 110.635 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -67.47 -42.3 83.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.497 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.51 -22.88 62.58 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.912 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 15' ' ' LYS . 6.2 tppt? -63.28 -49.32 74.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.569 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.454 ' O ' HG22 ' A' ' 20' ' ' VAL . 26.5 m-85 -67.48 -31.68 71.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.941 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.99 -38.42 90.9 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 m -58.62 -36.9 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 10.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.58 -37.18 35.87 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.087 -0.578 . . . . 10.0 113.172 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 16' ' ' PHE . 32.7 m -98.36 26.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.25 -56.1 25.69 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.861 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -86.29 -8.17 57.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.274 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.537 HD11 ' HD2' ' A' ' 50' ' ' LYS . 56.9 tp -70.94 -39.2 72.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.418 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -66.43 -30.37 70.72 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.904 0.383 . . . . 10.0 110.857 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -72.86 -28.43 62.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.989 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -76.98 -24.5 52.26 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.184 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 23' ' ' LEU . 48.7 t -71.09 -45.51 71.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.112 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -72.84 -29.07 62.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.425 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -37.19 65.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.763 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.04 -24.56 52.03 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.745 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.6 tp -71.23 -44.86 64.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.374 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.97 -32.21 69.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.689 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -70.32 -38.44 74.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.174 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -71.08 -26.26 62.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.208 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.59 -22.68 61.69 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.661 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.1 10.78 25.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.196 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 42.0 mmtm -124.64 123.32 25.71 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.392 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.54 -68.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.929 2.42 . . . . 10.0 111.726 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 m -129.84 123.08 29.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.082 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.766 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -138.27 103.58 7.98 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.402 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 27.1 Cg_endo -63.92 -39.25 33.83 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.366 2.044 . . . . 10.0 112.09 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.56 -42.7 51.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.207 -0.452 . . . . 10.0 112.105 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.766 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 3.3 mm? -70.56 -26.09 63.38 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.239 0.459 . . . . 10.0 112.239 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 tp -77.19 -32.6 56.19 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.681 0.277 . . . . 10.0 110.645 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.06 -37.61 78.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.898 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 50' ' ' LYS . . . -73.44 -38.03 65.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.583 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -66.62 -42.61 86.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.45 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -68.01 -37.88 81.93 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.219 0.452 . . . . 10.0 112.219 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t -73.16 -41.63 63.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.481 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.537 ' HD2' HD11 ' A' ' 23' ' ' LEU . 74.2 mmtt -74.23 -24.89 59.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.379 0.511 . . . . 10.0 112.379 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 tp -73.91 -38.27 64.38 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.889 0.376 . . . . 10.0 110.155 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.3 p -72.6 -29.48 63.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.506 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.23 -36.11 78.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.913 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.1 -34.35 77.86 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.937 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -64.9 -37.96 89.38 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.089 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.9 mm? -70.4 -30.96 67.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.558 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.89 -50.76 46.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.901 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.496 HH12 ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -69.73 -36.94 76.29 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.031 0.382 . . . . 10.0 112.031 -179.192 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.42 -37.75 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.94 76.08 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.688 0.28 . . . . 10.0 111.257 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -69.87 -43.74 71.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.301 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB3' HH12 ' A' ' 58' ' ' ARG . 77.0 p -71.03 -25.26 62.58 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 67' ' ' VAL . 86.8 m-20 -76.71 -41.3 45.76 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 p -70.25 -36.68 74.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.951 0.352 . . . . 10.0 111.951 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.74 -28.63 27.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -74.98 -47.94 26.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.822 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.5 t -64.18 -50.07 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 111.883 0.327 . . . . 10.0 111.883 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 71' ' ' ILE . 5.8 m-85 -55.83 -34.72 65.65 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.429 0.456 . . . . 10.0 112.143 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HE3' ' OG ' ' D' ' 39' ' ' SER . 0.1 OUTLIER -68.86 -40.64 79.19 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.578 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -66.49 -35.2 79.67 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.546 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.662 HG22 HD11 ' A' ' 75' ' ' ILE . 36.7 mt -60.5 -55.22 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.27 -33.63 73.87 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.18 -0.918 . . . . 10.0 112.789 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.45 74.87 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.9 -46.76 33.77 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.67 HG22 HD23 ' D' ' 44' ' ' LEU . 26.3 mt -59.98 -50.98 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.594 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.59 ' CD1' HD21 ' D' ' 44' ' ' LEU . 4.4 mm -57.14 -38.54 61.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -58.12 -32.13 67.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.995 -0.548 . . . . 10.0 112.128 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -91.19 -25.24 19.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.505 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.552 ' O ' ' HB3' ' B' ' 63' ' ' ASN . 0.0 OUTLIER -73.86 154.96 39.24 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.59 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.997 ' HD3' HD13 ' D' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 C-N-CA 120.347 -0.541 . . . . 10.0 109.656 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.797 0.332 . . . . 10.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.1 143.26 45.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.915 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 23.4 m -106.34 111.67 64.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.12 154.01 57.22 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.632 2.221 . . . . 10.0 112.045 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -69.53 117.86 11.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -108.87 152.27 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.241 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.47 141.06 7.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.639 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -66.91 -36.49 82.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.708 0.29 . . . . 10.0 111.706 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -36.4 78.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.203 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.82 -27.52 62.97 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.883 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.73 -40.09 76.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.549 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.84 HG11 HG21 ' B' ' 64' ' ' THR . 7.4 t -67.14 -35.58 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.991 0.424 . . . . 10.0 110.871 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -69.78 -32.34 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.169 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -37.05 71.9 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.613 -0.721 . . . . 10.0 112.5 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -68.48 -34.84 76.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.416 0.524 . . . . 10.0 112.416 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.456 ' O ' HG22 ' B' ' 20' ' ' VAL . 12.9 m-85 -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.45 -39.04 88.63 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.17 -0.923 . . . . 10.0 113.264 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 15.7 m -54.71 -35.76 64.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.921 0.391 . . . . 10.0 111.303 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.58 -45.98 12.6 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.975 -0.631 . . . . 10.0 113.521 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.456 HG22 ' O ' ' B' ' 16' ' ' PHE . 35.7 m -94.6 29.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.94 0.4 . . . . 10.0 111.247 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.43 -54.44 43.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.939 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -84.78 -9.87 57.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.086 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 27' ' ' VAL . 37.2 tp -71.03 -34.7 71.54 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.204 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.04 -33.0 73.76 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.969 0.414 . . . . 10.0 110.795 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -72.67 -27.11 61.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.074 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -77.11 -25.95 52.73 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.217 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 23' ' ' LEU . 61.7 t -71.85 -43.69 68.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.881 0.372 . . . . 10.0 110.083 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 23.8 p -73.37 -27.71 61.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.058 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.94 -36.05 62.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.108 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.42 51.63 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.974 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.5 tp -71.7 -44.83 63.52 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.157 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.83 -31.75 68.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.485 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 0.4 OUTLIER -71.06 -36.51 72.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.093 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.3 OUTLIER -71.04 -28.17 64.19 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.56 -17.63 60.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.195 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.83 6.22 29.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.3 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 39.9 mmtm -121.96 130.9 24.54 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 24.0 Cg_exo -65.58 -63.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.75 2.3 . . . . 10.0 111.128 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.7 m -142.77 123.72 14.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.883 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 0.3 OUTLIER -137.35 103.22 8.73 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.46 -179.733 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 26.8 Cg_endo -64.04 -35.86 51.69 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.461 2.107 . . . . 10.0 112.03 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.59 -42.22 59.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.447 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.741 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.5 mm? -72.53 -22.91 60.95 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.668 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 tp -79.08 -35.76 41.9 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.665 0.269 . . . . 10.0 110.406 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.79 80.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.056 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.49 64.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.825 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -71.96 -42.4 66.62 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.191 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -68.37 -35.64 78.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.719 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.484 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 46.6 t -72.11 -42.39 66.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.206 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -79.69 -18.97 50.07 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.897 0.703 . . . . 10.0 112.897 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 45.5 tp -74.04 -40.15 63.04 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.424 -0.954 . . . . 10.0 108.424 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.6 p -74.03 -27.67 61.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.883 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.659 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 32.6 mt-10 -66.89 -36.65 82.77 Favored 'General case' 0 N--CA 1.461 0.08 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.658 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.8 -32.16 73.53 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -68.63 -36.02 78.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.193 -0.912 . . . . 10.0 110.75 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' B' ' 53' ' ' GLU . 3.8 pp -72.6 -28.59 62.88 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.638 -0.425 . . . . 10.0 111.271 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -55.63 5.99 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.995 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 58' ' ' ARG . 0.3 OUTLIER -64.58 -38.02 89.56 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.073 0.397 . . . . 10.0 112.073 -178.26 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -76.85 -18.92 58.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.836 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.67 -53.48 11.64 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.404 ' O ' HG12 ' B' ' 65' ' ' VAL . 1.5 tt0 -58.86 -32.42 69.44 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.295 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 43.7 t -67.12 -43.14 83.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.057 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.552 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 81.0 m-20 -76.01 -31.09 58.74 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.84 HG21 HG11 ' B' ' 12' ' ' VAL . 2.2 m -64.27 -50.87 66.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.914 0.388 . . . . 10.0 111.256 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' B' ' 69' ' ' LYS . 11.3 p -72.01 -23.63 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.63 -0.713 . . . . 10.0 112.0 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -69.8 -50.92 38.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.014 0.746 . . . . 10.0 113.014 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -80.87 -34.14 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' B' ' 71' ' ' ILE . 2.5 t80 -62.93 -32.43 73.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 10.0 110.013 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' B' ' 65' ' ' VAL . 6.1 tptm -73.2 -38.66 66.03 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.646 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.26 -34.62 76.53 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' B' ' 68' ' ' PHE . 48.8 mt -62.58 -43.42 98.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.717 ' HA ' HD12 ' B' ' 75' ' ' ILE . 18.9 t70 -72.1 -24.08 61.43 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.331 -0.85 . . . . 10.0 112.169 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.93 98.99 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.861 0.363 . . . . 10.0 110.546 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.77 -37.0 79.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.228 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' B' ' 72' ' ' ASP . 95.7 mt -60.42 -51.09 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.313 -0.858 . . . . 10.0 111.828 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.19 -31.34 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -68.64 -32.54 72.48 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.832 0.308 . . . . 10.0 111.832 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -91.02 -21.04 21.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.874 0.368 . . . . 10.0 111.37 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.94 146.92 23.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.269 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.466 -0.778 . . . . 10.0 111.405 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.863 0.363 . . . . 10.0 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.52 147.47 41.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 23.4 m -106.51 115.72 60.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.092 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -74.5 162.7 37.6 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.766 2.311 . . . . 10.0 112.104 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -71.43 117.98 13.66 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.518 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -111.43 147.48 35.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.813 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.43 146.61 13.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.717 -0.754 . . . . 10.0 112.563 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' TYR . . . . . 0.412 ' O ' HG23 ' C' ' 12' ' ' VAL . 7.5 m-85 -67.07 -31.33 71.76 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.927 0.343 . . . . 10.0 111.927 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.583 ' H ' HD23 ' C' ' 9' ' ' LEU . 0.6 OUTLIER -69.18 -35.1 75.92 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.383 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.23 -27.83 62.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.685 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -70.34 -38.53 74.86 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.545 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.468 ' O ' ' HB2' ' C' ' 15' ' ' LYS . 21.6 t -67.91 -40.59 83.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.902 0.382 . . . . 10.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -64.56 -36.92 85.77 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.098 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.48 -23.41 61.03 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.127 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' C' ' 12' ' ' VAL . 37.9 mmtm -62.65 -47.73 82.41 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.952 0.405 . . . . 10.0 110.192 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.411 ' O ' HG22 ' C' ' 20' ' ' VAL . 31.6 m-85 -70.19 -30.66 67.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.245 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -64.8 -38.5 91.21 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 10.6 m -60.45 -38.96 85.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.823 0.344 . . . . 10.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.15 -33.16 50.43 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.01 -0.615 . . . . 10.0 113.012 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.411 HG22 ' O ' ' C' ' 16' ' ' PHE . 18.5 m -100.29 23.67 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.49 -55.96 28.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.636 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -89.21 -7.56 55.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.302 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.506 HD11 ' HD2' ' C' ' 50' ' ' LYS . 42.3 tp -70.9 -40.57 72.1 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -66.01 -29.55 69.94 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.861 0.362 . . . . 10.0 111.055 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.3 m -71.77 -30.74 65.88 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.7 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -75.8 -25.21 56.18 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.999 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 23' ' ' LEU . 82.0 t -68.47 -47.11 78.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.321 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 23.7 p -72.91 -27.94 62.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.647 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.85 -39.11 64.23 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.096 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.83 -24.11 55.8 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.713 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 tp -73.04 -44.23 61.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.499 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.87 -31.77 68.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.809 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' C' ' 33' ' ' LYS . 0.4 OUTLIER -68.52 -48.7 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.584 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.63 -25.69 65.86 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.495 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.78 66.0 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.92 23.76 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.771 0.656 . . . . 10.0 112.771 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.446 ' HA ' ' HD2' ' C' ' 38' ' ' PRO . 37.5 mmtm -118.05 111.02 39.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.514 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' C' ' 37' ' ' LYS . 10.1 Cg_endo -53.66 -65.19 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.204 2.602 . . . . 10.0 112.704 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -137.65 122.01 18.24 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.017 0.437 . . . . 10.0 110.907 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.756 ' HB3' ' HB2' ' C' ' 43' ' ' LEU . 0.6 OUTLIER -139.14 101.75 7.58 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.665 179.467 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.31 -35.42 62.52 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.434 2.089 . . . . 10.0 112.114 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -40.9 57.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.539 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.756 ' HB2' ' HB3' ' C' ' 40' ' ' ASP . 3.8 mm? -72.36 -26.64 61.98 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.181 0.437 . . . . 10.0 112.181 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 tp -76.16 -34.26 59.38 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.66 0.267 . . . . 10.0 110.887 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.11 73.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.22 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.51 -33.67 64.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.855 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -69.2 -44.11 72.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -69.33 -33.23 72.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.819 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 45.0 t -74.55 -42.03 59.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.508 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' LYS . . . . . 0.506 ' HD2' HD11 ' C' ' 23' ' ' LEU . 73.6 mmtt -75.09 -26.52 59.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.34 -37.71 63.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.702 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 94.3 p -70.24 -30.07 67.04 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.157 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.83 -35.97 79.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.771 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -64.23 -30.87 71.91 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.457 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -69.26 -42.51 75.47 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.214 -0.903 . . . . 10.0 111.616 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.0 OUTLIER -72.11 -29.52 64.16 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.727 0.64 . . . . 10.0 112.727 -179.38 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -51.34 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 10.0 111.127 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.762 ' NH2' ' HA ' ' D' ' 45' ' ' ALA . 0.0 OUTLIER -70.37 -35.03 73.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.017 -178.324 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -69.98 -30.03 67.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.697 0.284 . . . . 10.0 110.657 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.51 73.44 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.307 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.82 -49.49 68.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.382 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' SER . . . . . 0.694 ' HB3' HH12 ' C' ' 58' ' ' ARG . 21.8 p -66.15 -25.84 67.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.661 0.267 . . . . 10.0 111.404 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -73.11 -50.43 22.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.161 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 19.9 p -65.98 -37.53 86.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.519 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.622 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 25.2 t -61.72 -45.55 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.788 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -74.85 -43.1 56.31 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.1 0.778 . . . . 10.0 113.1 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.75 -56.4 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 112.188 0.44 . . . . 10.0 112.188 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -63.87 -24.52 67.77 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.704 0.288 . . . . 10.0 111.635 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.622 ' HB2' ' O ' ' C' ' 65' ' ' VAL . 0.0 OUTLIER -72.73 -37.93 67.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 179.714 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -71.87 -38.23 70.07 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.845 0.355 . . . . 10.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.68 -47.66 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.15 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.91 -27.98 67.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.834 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.94 98.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.715 0.293 . . . . 10.0 111.314 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.09 62.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.23 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 86.7 mt -68.44 -52.82 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.048 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' ILE . . . . . 0.429 ' HA ' ' HB3' ' C' ' 79' ' ' PHE . 1.8 pp -66.95 -26.1 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -70.92 -31.94 68.71 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.814 0.34 . . . . 10.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -92.2 -14.83 28.43 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.09 0.472 . . . . 10.0 110.188 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 79' ' ' PHE . . . . . 0.429 ' HB3' ' HA ' ' C' ' 76' ' ' ILE . 0.0 OUTLIER -85.74 141.91 29.37 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.001 -179.796 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.586 -0.721 . . . . 10.0 110.928 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.74 0.305 . . . . 10.0 111.075 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.95 143.47 45.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.947 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m -106.4 111.53 64.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.792 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.38 154.98 60.8 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.629 2.219 . . . . 10.0 111.977 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -70.41 115.8 10.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.108 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -107.35 152.14 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.28 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.15 141.92 8.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.348 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.82 -33.35 75.42 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.576 ' H ' HD23 ' D' ' 9' ' ' LEU . 0.6 OUTLIER -68.31 -34.99 77.13 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.165 179.719 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.51 -28.42 62.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.027 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.42 -36.46 76.73 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.341 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.13 -42.4 81.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.742 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t -65.45 -43.2 91.13 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.058 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.0 64.19 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.671 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -68.09 -39.3 82.9 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.606 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.469 ' O ' HG22 ' D' ' 20' ' ' VAL . 26.7 m-85 -71.76 -33.43 68.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.274 178.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.82 -38.46 91.04 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.213 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -59.21 -37.55 77.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.293 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.69 -36.36 43.15 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.947 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.469 HG22 ' O ' ' D' ' 16' ' ' PHE . 33.9 m -99.39 28.73 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 120.75 0.31 . . . . 10.0 111.751 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.92 -53.18 60.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.385 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -88.0 -7.87 56.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.293 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.458 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.2 OUTLIER -71.02 -42.52 69.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.61 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -65.8 -29.82 70.36 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 5.0 m -73.62 -29.82 62.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.539 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -77.32 -24.79 50.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.155 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.458 HG23 ' O ' ' D' ' 23' ' ' LEU . 96.5 t -73.44 -40.82 56.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.847 0.356 . . . . 10.0 110.11 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 18.7 p -75.96 -26.53 56.9 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.177 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -37.18 61.84 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.341 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.27 -23.83 51.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.255 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.64 -49.24 66.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.349 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.95 -31.27 67.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.063 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -36.21 76.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.402 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.551 HD21 HD12 ' D' ' 44' ' ' LEU . 0.2 OUTLIER -72.58 -26.3 61.66 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.994 0.426 . . . . 10.0 110.206 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.22 -25.67 68.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.652 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.48 24.67 9.78 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -143.69 109.2 5.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.659 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -73.79 -72.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.299 2.0 . . . . 10.0 111.796 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' SER . . . . . 0.577 ' OG ' ' HE3' ' A' ' 69' ' ' LYS . 9.6 m -83.38 123.32 29.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.68 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 8.7 m-20 -137.85 89.45 15.05 Favored Pre-proline 0 N--CA 1.452 -0.328 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.509 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 24.1 Cg_endo -65.83 -47.67 3.6 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 121.451 1.434 . . . . 10.0 111.608 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.01 -53.28 6.56 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.49 1.293 . . . . 10.0 114.49 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -33.49 70.19 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.68 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.9 OUTLIER -67.02 -29.47 69.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 45' ' ' ALA . . . . . 0.762 ' HA ' ' NH2' ' C' ' 58' ' ' ARG . . . -58.04 -39.35 78.17 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.499 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.57 -45.19 54.79 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.806 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -59.7 -49.94 75.79 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 48' ' ' GLN . . . . . 0.551 ' HG2' ' HB2' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -61.87 -46.03 91.17 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 22.6 t -72.88 -38.99 66.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -76.94 -23.17 52.42 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.997 HD13 ' HD3' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -68.08 -51.11 50.24 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.424 -0.954 . . . . 10.0 108.424 177.787 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 52' ' ' SER . . . . . 0.519 ' N ' ' HG ' ' D' ' 51' ' ' LEU . 60.7 p -62.42 -30.33 71.15 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.771 -1.104 . . . . 10.0 110.998 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.77 -36.48 80.57 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.617 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 54' ' ' TYR . . . . . 0.46 ' HB3' ' O ' ' D' ' 51' ' ' LEU . 34.7 t80 -62.68 -33.2 74.59 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.311 -0.859 . . . . 10.0 109.854 178.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -60.58 -47.62 85.41 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.205 -0.907 . . . . 10.0 112.249 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' D' ' 56' ' ' LEU . 1.5 mm? -71.27 -28.01 63.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.565 0.95 . . . . 10.0 113.565 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -58.47 -50.95 71.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.829 0.347 . . . . 10.0 110.62 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 58' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' D' ' 58' ' ' ARG . 5.2 mmm180 -81.1 -36.39 30.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.434 0.901 . . . . 10.0 113.434 -178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.06 -51.49 31.58 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.62 -32.85 74.45 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.787 -0.188 . . . . 10.0 111.335 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 61' ' ' GLN . . . . . 0.482 ' O ' HG23 ' D' ' 65' ' ' VAL . 1.5 tm0? -65.79 -44.63 85.18 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.596 0.236 . . . . 10.0 110.536 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 62' ' ' SER . . . . . 0.405 ' HB3' HH12 ' D' ' 58' ' ' ARG . 84.2 p -70.45 -25.84 63.37 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.952 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.578 ' O ' HG23 ' D' ' 67' ' ' VAL . 94.5 m-20 -70.98 -48.18 54.7 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.823 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 35.8 p -64.73 -37.15 86.61 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.843 0.682 . . . . 10.0 112.843 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 65' ' ' VAL . . . . . 0.482 HG23 ' O ' ' D' ' 61' ' ' GLN . 77.3 t -62.27 -38.4 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.067 0.46 . . . . 10.0 110.065 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -68.77 -31.83 71.13 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.761 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.578 HG23 ' O ' ' D' ' 63' ' ' ASN . 21.5 t -63.09 -57.9 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.832 0.349 . . . . 10.0 111.697 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 68' ' ' PHE . . . . . 0.585 ' HA ' HG22 ' D' ' 71' ' ' ILE . 72.6 m-85 -63.65 -27.41 69.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.729 -0.669 . . . . 10.0 112.711 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.529 ' HA ' ' HD3' ' D' ' 69' ' ' LYS . 24.6 mmtp -72.96 -38.12 66.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -77.22 -40.49 44.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.781 0.324 . . . . 10.0 111.358 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 71' ' ' ILE . . . . . 0.585 HG22 ' HA ' ' D' ' 68' ' ' PHE . 15.0 tt -65.15 -40.72 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.33 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.4 -24.8 60.33 Favored 'General case' 0 C--N 1.335 -0.036 0 CA-C-N 116.55 -0.295 . . . . 10.0 111.524 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.62 93.61 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.836 0.35 . . . . 10.0 110.855 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.97 -38.38 57.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.376 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.41 -48.96 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.68 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.76 -27.72 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.583 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -66.03 -33.77 76.57 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.765 0.317 . . . . 10.0 110.711 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -91.95 -18.58 23.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.889 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.49 146.5 26.91 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.315 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.204 -0.903 . . . . 10.0 111.364 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.742 0.306 . . . . 10.0 111.42 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.46 144.66 31.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 m -95.75 119.03 65.63 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.606 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.79 143.2 45.26 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.973 2.449 . . . . 10.0 113.26 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -73.31 111.03 8.06 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.895 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 p -157.32 142.79 17.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.989 0.423 . . . . 10.0 111.702 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' H ' ' HB3' ' A' ' 10' ' ' ASP . . . -162.21 -171.93 28.98 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.71 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 57.4 m-85 -67.45 -38.04 83.87 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 117.11 0.455 . . . . 10.0 110.897 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.71 -38.61 83.83 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.079 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.51 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 37.0 t70 -72.53 -31.53 65.39 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.941 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.03 -36.84 80.59 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.59 HG22 HD21 ' C' ' 31' ' ' LEU . 86.6 t -69.3 -41.23 80.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.29 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.7 m -67.08 -40.88 87.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.024 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.92 -24.46 59.68 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.957 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.855 ' HE3' ' HA ' ' C' ' 32' ' ' ASP . 15.7 tptp -67.36 -41.57 84.87 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.327 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.508 ' O ' HG22 ' A' ' 20' ' ' VAL . 34.6 m-85 -72.13 -32.0 66.52 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.026 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -65.46 -47.5 75.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.375 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -70.63 -23.55 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.909 0.385 . . . . 10.0 110.328 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.46 -36.26 62.9 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.925 -0.58 . . . . 10.0 112.778 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.604 HG12 HD21 ' A' ' 23' ' ' LEU . 35.2 m -119.86 31.01 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 111.807 0.299 . . . . 10.0 111.807 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -75.14 1.53 13.05 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -114.7 -40.79 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.817 0.303 . . . . 10.0 111.817 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.6 pp -69.74 -21.61 63.44 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 112.886 0.699 . . . . 10.0 112.886 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.8 -50.39 73.44 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.864 0.364 . . . . 10.0 110.97 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 t -70.99 -27.2 63.53 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.29 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -68.15 -28.93 67.72 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.173 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 23' ' ' LEU . 51.4 t -70.02 -46.47 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.943 0.401 . . . . 10.0 109.934 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -65.17 -41.43 94.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.381 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -65.88 -38.48 88.89 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.386 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.82 -24.5 60.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.217 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 tp -72.92 -39.76 66.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.545 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -70.42 -37.04 74.37 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.873 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -71.56 -28.31 63.76 Favored 'General case' 0 CA--C 1.527 0.09 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.302 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -69.43 -42.51 74.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.34 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.9 -16.17 60.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.153 -0.476 . . . . 10.0 112.09 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.26 0.46 43.18 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -124.45 130.77 24.2 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.545 -0.298 . . . . 10.0 111.333 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.81 -61.55 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.856 2.37 . . . . 10.0 111.58 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 p -133.66 124.78 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.126 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.626 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.4 99.3 9.72 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 -179.213 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 28.4 Cg_endo -64.36 -39.02 31.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.438 2.092 . . . . 10.0 112.43 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.87 -42.84 57.14 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.195 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.626 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.8 mm? -71.61 -23.59 61.73 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.8 tp -74.74 -40.41 61.28 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.523 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.19 77.17 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.785 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.36 -41.79 66.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.751 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -67.47 -33.45 75.14 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.009 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.98 -48.97 79.35 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.08 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -71.64 -40.44 69.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.676 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -65.74 -35.32 80.4 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -72.91 -34.22 66.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.944 0.402 . . . . 10.0 110.515 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 m -73.8 -31.62 63.34 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.985 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -67.67 -36.85 81.48 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.867 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -68.34 -32.44 72.55 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -68.98 -43.32 75.14 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.499 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.3 mm? -67.1 -31.08 71.32 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.207 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -43.62 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.586 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -73.02 -31.49 64.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.108 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -72.61 -47.25 49.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.231 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.05 -31.22 71.6 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.373 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' HG23 ' A' ' 65' ' ' VAL . 32.7 tt0 -72.31 -43.54 64.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -64.74 -28.63 69.72 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.62 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -73.65 -39.97 64.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.405 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.6 p -69.57 -37.56 77.03 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.482 0.549 . . . . 10.0 112.482 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 61' ' ' GLN . 24.8 t -68.15 -36.55 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.117 0.484 . . . . 10.0 110.401 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -70.46 -47.83 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.3 t -69.77 -46.55 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 114.269 1.211 . . . . 10.0 114.269 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.862 ' HE2' ' HB2' ' D' ' 39' ' ' SER . 79.2 t80 -57.36 -38.45 74.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.412 0.625 . . . . 10.0 110.544 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -68.83 -35.07 76.51 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.195 -0.911 . . . . 10.0 110.723 178.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.88 -28.34 63.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.51 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 67' ' ' VAL . 24.2 mt -61.59 -56.67 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.609 0.718 . . . . 10.0 109.83 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.742 ' HA ' HD12 ' A' ' 75' ' ' ILE . 15.6 m-20 -65.24 -26.63 68.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.521 -1.218 . . . . 10.0 112.925 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.2 92.89 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.776 0.322 . . . . 10.0 111.022 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.64 75.46 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.181 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 72' ' ' ASP . 14.9 mt -70.15 -35.39 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.469 0.652 . . . . 10.0 110.275 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.515 HD12 HD21 ' D' ' 44' ' ' LEU . 1.0 OUTLIER -62.43 -33.27 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.946 -1.025 . . . . 10.0 111.414 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.444 ' HG2' HG22 ' A' ' 76' ' ' ILE . 12.9 mm100 -78.63 -32.1 47.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.468 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' A' ' 75' ' ' ILE . 1.9 p-10 -88.65 2.79 52.56 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.244 0.545 . . . . 10.0 109.933 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.474 ' CD1' ' HB3' ' B' ' 63' ' ' ASN . 2.4 t80 -56.65 -83.75 0.01 OUTLIER 'General case' 0 C--N 1.343 0.296 0 CA-C-N 114.731 -1.122 . . . . 10.0 109.573 177.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.456 ' H ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.255 -0.879 . . . . 10.0 111.098 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.711 0.291 . . . . 10.0 111.18 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.29 146.16 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 19.7 m -100.45 114.7 65.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.669 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.89 139.99 49.18 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.719 2.279 . . . . 10.0 112.25 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -69.88 110.45 5.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.57 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 11.5 m -137.81 152.43 49.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.868 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.13 177.14 48.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.165 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' B' ' 12' ' ' VAL . 79.6 m-85 -67.14 -34.53 77.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 10.0 111.3 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.0 -39.02 72.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.303 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.63 -31.64 67.09 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.264 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.89 -36.94 81.1 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.348 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.542 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 86.9 t -67.81 -37.25 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.184 0.516 . . . . 10.0 110.25 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.3 m -70.01 -36.96 75.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.239 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.47 60.45 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.728 0.64 . . . . 10.0 112.728 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.854 ' HZ3' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -63.32 -40.05 96.25 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.795 0.331 . . . . 10.0 111.389 -179.785 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.55 ' O ' HG22 ' B' ' 20' ' ' VAL . 37.7 m-85 -75.63 -31.41 59.83 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.715 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.01 -52.5 59.24 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 112.797 0.665 . . . . 10.0 112.797 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -67.77 -22.47 65.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.356 0.598 . . . . 10.0 109.509 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.11 -44.75 53.39 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.168 -0.924 . . . . 10.0 115.179 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.701 HG12 HD21 ' B' ' 23' ' ' LEU . 22.7 m -115.44 29.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.153 0.501 . . . . 10.0 111.239 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.9 -19.19 63.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.487 -0.779 . . . . 10.0 111.912 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.6 -41.45 10.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.701 HD21 HG12 ' B' ' 20' ' ' VAL . 4.4 pp -68.71 -21.63 64.39 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 113.267 0.839 . . . . 10.0 113.267 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 96.0 mt-30 -57.67 -50.35 73.48 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.807 0.337 . . . . 10.0 111.171 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.9 t -71.56 -27.25 63.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.392 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -67.88 -30.38 69.72 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.294 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 23' ' ' LEU . 97.5 t -70.57 -44.65 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.98 0.419 . . . . 10.0 109.995 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -65.83 -40.02 91.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.022 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.47 -38.72 87.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.028 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.0 -24.96 61.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.187 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.8 tp -73.03 -40.12 65.4 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.462 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -70.44 -36.57 74.03 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.716 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -71.48 -25.21 62.18 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.08 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -44.33 69.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.58 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.84 -15.5 60.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.0 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.24 7.46 44.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.501 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 1.1 tppt? -131.91 128.54 21.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.167 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 33.5 Cg_exo -61.73 -58.82 0.35 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.914 2.409 . . . . 10.0 111.94 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.3 p -138.28 125.03 20.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.823 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -137.02 94.47 12.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.48 -35.96 46.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.393 2.062 . . . . 10.0 111.987 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.61 -43.47 47.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.1 -0.5 . . . . 10.0 112.05 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.644 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.8 mm? -71.18 -27.44 63.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.692 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -72.71 -34.96 67.46 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.948 -0.389 . . . . 10.0 109.948 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.38 87.51 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.433 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.09 -42.69 65.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.52 -33.68 76.47 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.191 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -62.92 -49.67 73.85 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.749 0.309 . . . . 10.0 111.31 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -71.63 -39.9 70.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.465 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -67.7 -34.8 77.62 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 tp -72.13 -30.54 65.15 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 71.4 m -74.4 -29.34 61.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.287 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -69.9 -36.19 75.21 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.469 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -67.19 -32.76 74.05 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -70.88 -34.08 71.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.603 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -41.38 95.41 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.651 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 1.2 t80 -68.05 -44.76 75.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.239 -0.891 . . . . 10.0 111.728 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' B' ' 58' ' ' ARG . 2.5 mmp_? -76.02 -17.61 59.6 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.145 0.794 . . . . 10.0 113.145 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.19 -63.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.17 -33.47 72.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.579 0.352 . . . . 10.0 110.8 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.558 ' O ' HG23 ' B' ' 65' ' ' VAL . 40.9 tt0 -62.48 -49.59 74.79 Favored 'General case' 0 C--O 1.226 -0.137 0 O-C-N 123.207 0.317 . . . . 10.0 111.208 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.5 m -64.71 -31.54 72.81 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.791 0.329 . . . . 10.0 110.954 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.509 ' O ' HG23 ' B' ' 67' ' ' VAL . 85.1 m-20 -70.05 -42.83 72.36 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.235 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 25.4 p -70.01 -37.79 75.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 61' ' ' GLN . 69.0 t -60.65 -37.56 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.761 0.315 . . . . 10.0 110.912 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -72.39 -41.62 66.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.562 0.578 . . . . 10.0 112.562 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.705 ' O ' HG13 ' B' ' 71' ' ' ILE . 21.6 t -62.14 -54.2 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' PHE . . . . . 0.773 ' HA ' HD12 ' B' ' 71' ' ' ILE . 67.8 t80 -58.97 -34.8 72.22 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -37.83 78.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.93 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.78 -18.9 60.4 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.287 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' B' ' 68' ' ' PHE . 82.9 mt -68.59 -55.54 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.101 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -70.34 -20.16 63.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.826 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.66 74.39 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.852 0.358 . . . . 10.0 110.722 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.58 -36.48 78.79 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.614 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.462 ' HA ' ' OD1' ' B' ' 78' ' ' ASN . 43.7 mt -69.59 -35.83 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.415 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -28.12 43.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.553 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -76.17 -36.84 58.53 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.765 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.462 ' OD1' ' HA ' ' B' ' 75' ' ' ILE . 2.7 p-10 -92.1 4.38 53.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.889 0.376 . . . . 10.0 111.175 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -62.48 -85.49 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.995 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.668 ' H ' ' HD3' ' B' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.115 -0.945 . . . . 10.0 111.581 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.716 0.293 . . . . 10.0 111.185 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.67 147.73 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 21.0 m -102.13 116.78 62.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.797 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.78 153.56 58.98 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.902 2.401 . . . . 10.0 112.575 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -78.14 110.35 13.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.507 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 30.9 p -152.51 152.17 31.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.35 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.44 -165.41 30.89 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.988 -0.625 . . . . 10.0 111.951 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' TYR . . . . . 0.406 ' O ' HG23 ' C' ' 12' ' ' VAL . 67.0 m-85 -67.28 -40.38 86.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.772 0.32 . . . . 10.0 111.526 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.38 -38.26 81.18 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.857 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.03 -32.83 67.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.381 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.95 -37.08 83.62 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.174 -0.467 . . . . 10.0 111.649 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 8' ' ' TYR . 95.2 t -67.98 -41.34 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.773 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m -66.32 -38.87 88.69 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.805 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 -24.57 58.84 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.394 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.21 -43.64 90.91 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.557 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.565 ' O ' HG22 ' C' ' 20' ' ' VAL . 59.1 m-85 -74.68 -32.83 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.133 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.54 -39.75 94.34 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 20.8 m -73.22 -30.38 63.46 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.953 0.406 . . . . 10.0 111.014 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.41 -25.53 67.92 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.598 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.565 HG22 ' O ' ' C' ' 16' ' ' PHE . 25.4 m -114.01 24.33 4.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.736 0.303 . . . . 10.0 111.592 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.12 30.44 0.52 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -145.57 -49.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 10.0 111.277 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.599 ' O ' HG23 ' C' ' 27' ' ' VAL . 0.0 OUTLIER -68.28 -20.04 64.75 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.451 ' N ' HD13 ' C' ' 23' ' ' LEU . 84.4 mt-30 -59.28 -49.28 78.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.85 0.357 . . . . 10.0 110.744 178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -69.49 -26.82 64.74 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -69.13 -25.69 64.51 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.618 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.599 HG23 ' O ' ' C' ' 23' ' ' LEU . 46.6 t -69.47 -48.79 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 109.535 -0.542 . . . . 10.0 109.535 178.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -66.17 -39.83 90.02 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.531 -0.758 . . . . 10.0 111.492 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.46 -42.5 92.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 -24.31 61.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.338 . . . . 10.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' LEU . . . . . 0.59 HD21 HG22 ' A' ' 12' ' ' VAL . 62.8 tp -71.81 -39.1 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.377 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ASP . . . . . 0.855 ' HA ' ' HE3' ' A' ' 15' ' ' LYS . 69.5 m-20 -70.12 -39.71 75.31 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.943 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.03 -23.29 61.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.201 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.84 -55.35 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.752 0.649 . . . . 10.0 112.752 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ALA . . . . . 0.484 ' HB1' ' HA ' ' A' ' 16' ' ' PHE . . . -76.54 -15.59 59.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.759 1.022 . . . . 10.0 113.759 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.32 18.76 14.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.301 0.572 . . . . 10.0 110.988 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.488 ' HA ' ' HD3' ' C' ' 37' ' ' LYS . 0.2 OUTLIER -144.75 122.72 6.59 Favored Pre-proline 0 N--CA 1.454 -0.227 0 CA-C-N 115.0 -1.0 . . . . 10.0 109.257 179.05 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -50.12 -69.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.597 2.865 . . . . 10.0 114.021 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 29.9 m -127.82 125.65 40.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.717 0.294 . . . . 10.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.718 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -137.2 93.43 13.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.842 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -63.6 -37.02 49.88 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.569 2.18 . . . . 10.0 112.608 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.0 -40.09 60.84 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.682 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.718 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.0 mm? -72.82 -22.63 60.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.85 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 36.6 tp -73.74 -44.37 56.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.811 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.11 80.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.876 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.56 -38.88 70.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.85 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' TYR . . . . . 0.408 ' O ' ' HG ' ' C' ' 51' ' ' LEU . 9.3 t80 -69.38 -34.47 74.59 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.032 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -59.67 -45.85 90.8 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.946 0.403 . . . . 10.0 110.848 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 43.9 t -71.9 -37.8 70.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.789 -0.642 . . . . 10.0 111.046 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' C' ' 50' ' ' LYS . 13.1 mmtm -58.44 -56.04 27.24 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.381 1.252 . . . . 10.0 114.381 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' C' ' 47' ' ' TYR . 0.4 OUTLIER -70.56 -29.81 66.36 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 52' ' ' SER . . . . . 0.463 ' O ' HD22 ' C' ' 56' ' ' LEU . 78.7 p -69.42 -30.51 68.48 Favored 'General case' 0 C--O 1.228 -0.075 0 C-N-CA 120.716 -0.394 . . . . 10.0 110.321 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.89 -37.08 78.79 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.4 -0.592 . . . . 10.0 109.4 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.56 -33.6 74.37 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.466 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.44 -49.83 69.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.147 -0.933 . . . . 10.0 111.369 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.463 HD22 ' O ' ' C' ' 52' ' ' SER . 0.3 OUTLIER -73.58 -27.79 61.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.246 0.832 . . . . 10.0 113.246 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 57' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -65.16 -43.08 92.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.083 0.468 . . . . 10.0 109.748 178.457 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.494 ' HG2' ' CE2' ' C' ' 57' ' ' TYR . 1.5 mmp_? -76.68 -31.66 57.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.544 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.59 -41.33 88.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.854 0.359 . . . . 10.0 110.18 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.01 -34.12 68.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.767 -0.652 . . . . 10.0 110.506 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.652 ' O ' HG23 ' C' ' 65' ' ' VAL . 39.6 tt0 -69.22 -39.65 78.44 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.583 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 62' ' ' SER . . . . . 0.467 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 58.6 m -65.34 -36.13 83.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.974 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 63' ' ' ASN . . . . . 0.401 ' O ' HG23 ' C' ' 67' ' ' VAL . 91.8 m-20 -72.8 -41.32 65.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.607 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 24.3 p -64.95 -37.56 88.05 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.652 HG23 ' O ' ' C' ' 61' ' ' GLN . 62.3 t -66.66 -52.66 43.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 66' ' ' LYS . . . . . 0.645 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 11.4 tmtt? -58.13 -42.44 85.85 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.479 0.918 . . . . 10.0 113.479 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 67' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 63' ' ' ASN . 74.4 t -65.95 -45.62 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -61.4 -32.75 72.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 10.0 111.569 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' C' ' 66' ' ' LYS . 0.8 OUTLIER -70.71 -36.53 73.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.194 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.61 -28.44 66.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.85 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.12 -50.18 55.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.926 0.393 . . . . 10.0 110.033 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -71.08 -21.83 62.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.697 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.9 73.99 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.72 0.295 . . . . 10.0 111.096 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.49 -36.07 68.32 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.634 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.439 ' HA ' ' OD1' ' C' ' 78' ' ' ASN . 45.7 mt -74.14 -33.61 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.296 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mp -69.01 -30.28 46.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.433 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -82.63 -27.31 31.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.772 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' ASN . . . . . 0.439 ' OD1' ' HA ' ' C' ' 75' ' ' ILE . 0.2 OUTLIER -88.26 -4.76 58.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.041 0.448 . . . . 10.0 110.616 179.028 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 79' ' ' PHE . . . . . 0.432 ' HB3' ' H ' ' C' ' 80' ' ' ARG . 3.0 t80 -53.26 -83.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.838 178.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 80' ' ' ARG . . . . . 0.783 ' HD3' ' H ' ' C' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.312 -0.851 . . . . 10.0 111.588 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.749 0.309 . . . . 10.0 111.051 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.28 147.25 26.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.166 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 18.9 m -99.98 116.28 64.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.619 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.33 139.95 47.13 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.73 2.286 . . . . 10.0 112.345 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 42.3 t90 -75.24 111.03 10.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.5 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 22.9 p -154.26 143.7 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.198 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' GLY . . . . . 0.504 ' H ' ' HB3' ' D' ' 10' ' ' ASP . . . -159.21 -170.1 23.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.064 -0.588 . . . . 10.0 111.929 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' D' ' 12' ' ' VAL . 55.6 m-85 -67.17 -38.92 86.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.644 0.259 . . . . 10.0 111.639 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 52.6 tp -72.39 -35.21 68.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.902 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ASP . . . . . 0.504 ' HB3' ' H ' ' D' ' 7' ' ' GLY . 36.9 t70 -72.15 -32.76 67.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.165 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -67.33 -38.31 84.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.364 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.413 HG23 ' O ' ' D' ' 8' ' ' TYR . 60.6 t -69.85 -38.58 76.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.919 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m -66.57 -40.12 88.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.864 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.27 58.56 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.294 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -67.28 -39.55 86.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.795 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.433 ' O ' HG22 ' D' ' 20' ' ' VAL . 49.1 m-85 -77.52 -34.21 54.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.002 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.13 -43.73 90.99 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -77.17 -26.57 53.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.922 0.392 . . . . 10.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.12 -38.07 92.0 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.87 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.433 HG22 ' O ' ' D' ' 16' ' ' PHE . 34.4 m -118.81 31.4 2.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.916 0.389 . . . . 10.0 111.301 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.71 -26.76 68.51 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.822 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -85.64 -30.75 23.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.302 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.51 ' O ' HG23 ' D' ' 27' ' ' VAL . 46.9 mt -70.11 -24.97 63.28 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.05 -49.35 76.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.716 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -72.11 -27.09 62.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.181 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -67.84 -33.17 74.25 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.554 -0.294 . . . . 10.0 111.563 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 23' ' ' LEU . 89.9 t -72.07 -40.65 67.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.605 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 18.1 m -65.59 -41.21 93.11 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.903 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.17 -31.74 70.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.391 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.515 ' O ' ' HB2' ' D' ' 34' ' ' LEU . . . -73.3 -24.48 60.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.171 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.37 -43.12 61.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.791 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -70.15 -35.47 74.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.188 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -42.21 69.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.376 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.641 ' HB3' ' HE2' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -68.58 -29.27 67.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.401 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 35' ' ' ALA . . . . . 0.854 ' HA ' ' HZ3' ' B' ' 15' ' ' LYS . . . -55.54 -43.75 76.08 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.872 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.386 . . -111.55 24.24 13.0 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 115.541 1.682 . . . . 10.0 115.541 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 37' ' ' LYS . . . . . 0.522 ' HD3' ' HA ' ' D' ' 37' ' ' LYS . 32.3 mmtm -123.78 107.61 31.17 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 107.172 -1.418 . . . . 10.0 107.172 176.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -67.97 -73.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.72 2.28 . . . . 10.0 113.11 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' SER . . . . . 0.862 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . 2.3 p -104.02 120.26 40.68 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.81 ' HB2' ' HB2' ' D' ' 43' ' ' LEU . 0.3 OUTLIER -142.13 106.7 5.7 Favored Pre-proline 0 C--O 1.217 -0.61 0 N-CA-C 114.579 1.326 . . . . 10.0 114.579 -178.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 33.0 Cg_endo -66.17 -45.35 5.77 Favored 'Trans proline' 0 C--N 1.333 -0.28 0 C-N-CA 122.849 2.366 . . . . 10.0 112.874 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.8 -43.83 35.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.355 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.81 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 3.7 mm? -68.36 -23.04 64.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.356 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -79.9 -39.13 31.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.53 178.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.17 92.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.014 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.71 -48.75 58.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -63.97 -33.48 75.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.963 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -62.56 -49.58 74.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.3 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 46.8 t -75.15 -38.81 60.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -70.09 -34.79 73.6 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -69.4 -40.51 77.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.147 0.499 . . . . 10.0 110.069 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 62.8 p -73.76 -28.54 61.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.309 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -63.82 -36.39 83.73 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.74 -37.61 87.26 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.109 -0.95 . . . . 10.0 109.704 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -63.14 -45.78 90.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.201 -0.908 . . . . 10.0 112.292 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.2 mm? -69.41 -27.98 65.76 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -40.05 80.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 58' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' D' ' 58' ' ' ARG . 1.7 mmp_? -75.81 -35.13 60.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.822 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.64 -46.87 65.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.034 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.03 93.47 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.184 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 61' ' ' GLN . . . . . 0.584 ' O ' HG23 ' D' ' 65' ' ' VAL . 36.4 tt0 -69.14 -35.38 76.29 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.144 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 58.3 m -71.15 -28.93 64.62 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.798 0.333 . . . . 10.0 111.038 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.476 ' O ' HG23 ' D' ' 67' ' ' VAL . 89.6 m-20 -72.99 -37.66 66.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.39 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 34.1 p -68.66 -37.42 79.64 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 65' ' ' VAL . . . . . 0.584 HG23 ' O ' ' D' ' 61' ' ' GLN . 21.8 t -66.38 -34.47 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.935 0.398 . . . . 10.0 110.009 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -70.21 -36.26 74.47 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.898 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.476 HG23 ' O ' ' D' ' 63' ' ' ASN . 93.5 t -69.71 -54.98 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -58.21 -39.32 78.73 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.453 ' HB3' ' HE2' ' D' ' 69' ' ' LYS . 15.8 ttpt -72.69 -35.7 67.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -36.16 71.17 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 25.6 pt -71.48 -39.0 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 120.964 -0.295 . . . . 10.0 111.651 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.38 -25.59 61.56 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.13 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.45 -34.83 70.6 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.801 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.34 -38.76 78.29 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.655 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 75' ' ' ILE . . . . . 0.452 ' HA ' ' OD1' ' D' ' 78' ' ' ASN . 49.8 mt -69.92 -33.89 57.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.234 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.62 -26.91 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.249 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -74.82 -40.26 61.19 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.349 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 78' ' ' ASN . . . . . 0.452 ' OD1' ' HA ' ' D' ' 75' ' ' ILE . 3.2 p-10 -90.36 3.96 52.23 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.72 0.295 . . . . 10.0 111.632 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -59.9 -85.82 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.42 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 80' ' ' ARG . . . . . 0.601 ' HD3' ' H ' ' D' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.137 -0.935 . . . . 10.0 111.587 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.809 0.338 . . . . 10.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.56 106.82 18.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.52 107.31 43.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.215 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.24 165.72 27.4 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.946 2.431 . . . . 10.0 112.231 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.07 111.79 9.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.54 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 p -160.05 145.58 15.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.054 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.0 -177.55 33.19 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.313 -0.946 . . . . 10.0 114.008 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -66.6 -30.52 70.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.912 0.387 . . . . 10.0 111.015 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -73.9 -34.08 64.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.516 179.824 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.481 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 12.3 m-20 -70.21 -27.95 64.89 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.986 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -74.34 -36.95 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.567 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.11 -45.0 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.313 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 p -65.62 -39.14 91.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.204 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.74 -23.03 59.7 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.965 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -63.49 -44.44 94.34 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.37 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.504 ' O ' HG22 ' A' ' 20' ' ' VAL . 61.2 m-85 -74.0 -30.55 62.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.672 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.81 -50.41 64.75 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 m -66.88 -23.57 66.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.069 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' C' ' 35' ' ' ALA . . . -72.34 -52.6 10.3 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.612 -0.722 . . . . 10.0 112.849 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 16' ' ' PHE . 26.9 m -99.03 31.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.914 0.388 . . . . 10.0 111.577 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.56 -52.16 66.34 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.318 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -88.87 -14.59 36.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.809 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 tm? -70.66 -37.69 73.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.508 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -63.48 -40.69 97.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.969 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -70.63 -26.4 63.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.617 0.246 . . . . 10.0 111.51 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -72.11 -27.1 62.42 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.504 -0.317 . . . . 10.0 110.895 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 23' ' ' LEU . 42.3 t -70.22 -48.28 62.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.149 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.9 p -65.99 -34.91 79.18 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.846 -0.615 . . . . 10.0 112.006 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -68.94 -29.56 67.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.907 0.385 . . . . 10.0 110.651 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.5 -26.93 61.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.914 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 31' ' ' LEU . 1.2 mm? -72.65 -37.03 68.1 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.714 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -70.2 -34.49 72.99 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.682 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 60.6 mttp -70.94 -41.58 70.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.912 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -25.89 66.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.085 -0.507 . . . . 10.0 112.06 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.45 -21.3 62.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.135 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.86 7.89 17.14 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 111.788 0.292 . . . . 10.0 111.788 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 44.3 mmtm -117.06 122.93 30.65 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.686 -0.234 . . . . 10.0 111.524 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 19.6 Cg_exo -67.68 -66.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.962 2.441 . . . . 10.0 111.516 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -127.82 123.25 34.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.936 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.61 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -138.57 96.94 9.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.787 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.81 -37.05 47.45 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.324 2.016 . . . . 10.0 112.315 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.87 -46.09 32.04 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.61 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.5 mm? -69.4 -29.13 66.8 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 11.9 tp -72.93 -35.76 67.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.636 0.255 . . . . 10.0 111.184 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.72 -36.74 76.15 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.769 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.99 -31.35 64.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.761 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -72.76 -39.22 66.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.395 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 45.6 mt-30 -65.74 -37.58 86.76 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.138 0.421 . . . . 10.0 112.138 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.4 p -73.28 -39.11 65.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -75.11 -23.62 57.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.841 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 tp -74.72 -39.79 61.69 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.252 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 p -72.86 -29.65 63.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.798 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' C' ' 38' ' ' PRO . 46.6 mt-10 -66.74 -36.75 83.17 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.122 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -66.67 -35.06 79.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.773 -0.648 . . . . 10.0 110.027 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -66.48 -38.98 88.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.695 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.92 -32.7 72.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.819 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' HD1' ' HB3' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -64.08 -45.66 87.71 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.812 179.251 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.29 -31.55 60.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.413 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -65.21 -54.43 29.67 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.176 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.51 -31.43 72.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.997 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -69.02 -48.73 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.658 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.1 p -71.09 -27.26 63.49 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 67' ' ' VAL . 8.3 m-80 -70.69 -39.82 73.27 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.144 0.424 . . . . 10.0 112.144 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.0 p -69.68 -38.43 77.03 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.21 -38.45 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.855 0.359 . . . . 10.0 111.632 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -76.0 -33.09 59.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.296 1.221 . . . . 10.0 114.296 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.2 t -77.58 -42.89 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.349 -0.541 . . . . 10.0 111.855 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.8 -35.44 76.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.995 0.426 . . . . 10.0 110.512 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -71.94 -35.61 69.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.984 179.146 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.58 -36.57 82.95 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.953 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 67' ' ' VAL . 38.9 mt -59.0 -52.48 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-O 121.476 0.655 . . . . 10.0 110.301 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 76' ' ' ILE . 3.1 m-20 -70.12 -19.51 63.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.866 -1.061 . . . . 10.0 113.211 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 76' ' ' ILE . . . -66.54 -39.39 88.56 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.221 0.534 . . . . 10.0 109.648 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.07 -27.7 61.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.599 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.798 HD11 ' NE ' ' C' ' 58' ' ' ARG . 10.1 mm -64.4 -52.71 51.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 115.133 -0.94 . . . . 10.0 111.063 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.676 ' HA ' ' HB2' ' A' ' 79' ' ' PHE . 12.5 pt -64.91 -24.37 35.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.525 -0.761 . . . . 10.0 112.694 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -74.34 -29.17 61.47 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.296 -0.562 . . . . 10.0 110.045 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.95 7.42 41.4 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.391 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.676 ' HB2' ' HA ' ' A' ' 76' ' ' ILE . 1.2 t80 -66.18 -82.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.056 -0.975 . . . . 10.0 110.271 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.563 ' HD3' ' OD1' ' B' ' 63' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.093 -0.956 . . . . 10.0 111.674 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.747 0.308 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.36 107.94 19.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.97 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.4 p -117.19 108.58 43.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.17 157.24 46.43 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.718 2.279 . . . . 10.0 112.051 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.88 111.19 8.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.099 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 35.7 p -160.18 149.68 17.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.626 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.76 -175.99 32.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.64 -0.79 . . . . 10.0 112.583 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -67.16 -32.24 73.21 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.738 0.273 . . . . 10.0 111.738 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -33.81 71.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.053 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -72.15 -28.08 63.01 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.989 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.27 -39.2 65.58 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.515 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.37 -38.0 80.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.735 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 38.4 m -65.95 -44.35 85.28 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.557 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.05 -22.94 62.06 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.392 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.416 ' HG3' ' HB2' ' D' ' 35' ' ' ALA . 9.3 tptt -62.96 -46.62 86.89 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.733 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.569 ' HB3' ' HD1' ' B' ' 57' ' ' TYR . 66.9 m-85 -75.06 -28.31 60.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.618 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.27 -50.72 64.67 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.6 p -66.61 -22.64 66.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.55 -52.84 9.32 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 115.316 -0.856 . . . . 10.0 112.774 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.512 HG22 ' O ' ' B' ' 16' ' ' PHE . 15.9 m -101.92 31.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.16 0.505 . . . . 10.0 111.957 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.6 -52.07 64.84 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.552 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.404 ' O ' HG22 ' B' ' 25' ' ' THR . 39.6 m-80 -91.07 -13.62 32.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.413 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.489 ' O ' HG23 ' B' ' 27' ' ' VAL . 3.2 tm? -71.11 -36.78 72.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.132 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -64.45 -40.11 95.09 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.692 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.404 HG22 ' O ' ' B' ' 22' ' ' ASN . 9.9 t -70.57 -26.33 63.48 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.617 -0.265 . . . . 10.0 111.404 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -72.45 -27.57 62.4 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.727 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 23' ' ' LEU . 42.9 t -70.52 -45.84 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.308 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.3 p -68.69 -33.93 74.8 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.564 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.08 -29.79 67.97 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.387 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.43 62.88 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.648 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' B' ' 31' ' ' LEU . 1.6 mm? -72.01 -36.93 69.85 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.623 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -70.4 -34.56 72.67 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.431 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -71.23 -37.0 72.03 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.82 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.15 -27.51 65.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.573 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.65 60.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.581 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.67 3.86 18.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.519 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 41.6 mmtm -121.09 125.72 26.88 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.44 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 21.7 Cg_exo -67.5 -57.73 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.843 2.362 . . . . 10.0 111.026 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 64.7 m -136.77 124.17 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.418 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.584 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.9 OUTLIER -137.36 94.83 11.92 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.806 -179.522 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.28 -35.32 51.94 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.199 1.933 . . . . 10.0 112.198 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.49 -45.87 35.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.101 -0.499 . . . . 10.0 112.095 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.0 mm? -71.84 -24.51 61.71 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.0 tp -73.12 -40.24 65.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.525 0.202 . . . . 10.0 110.664 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.39 -32.81 73.14 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.959 0.409 . . . . 10.0 110.418 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.96 65.67 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.407 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -72.19 -34.47 68.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.979 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.51 -39.9 95.66 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.38 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -76.26 -46.65 27.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.104 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.508 ' HD3' ' OE1' ' B' ' 53' ' ' GLU . 30.6 mmtm -62.8 -32.5 73.69 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.019 0.748 . . . . 10.0 113.019 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 tp -72.66 -43.05 63.66 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.116 0.484 . . . . 10.0 110.544 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -68.33 -28.7 67.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.868 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.508 ' OE1' ' HD3' ' B' ' 50' ' ' LYS . 32.8 mt-10 -67.95 -35.57 78.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.016 178.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -61.65 -33.27 73.67 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -68.41 -31.17 70.32 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.183 -0.917 . . . . 10.0 110.656 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -33.82 76.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.046 0.451 . . . . 10.0 110.755 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' TYR . . . . . 0.569 ' HD1' ' HB3' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -69.9 -49.11 55.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.6 -0.727 . . . . 10.0 112.226 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -32.49 61.83 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 -178.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.427 ' HB3' HD12 ' A' ' 76' ' ' ILE . 51.2 m-20 -67.7 -58.61 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.42 -30.86 70.84 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.521 0.201 . . . . 10.0 110.729 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 57' ' ' TYR . 1.8 tt0 -63.28 -46.86 84.85 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.523 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.504 ' HB3' ' HE2' ' B' ' 66' ' ' LYS . 37.4 m -68.36 -35.31 77.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.934 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.563 ' OD1' ' HD3' ' A' ' 80' ' ' ARG . 17.6 m-80 -62.71 -44.68 95.6 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.435 0.531 . . . . 10.0 112.435 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 27.4 p -70.11 -42.28 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.64 -34.57 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.504 ' HE2' ' HB3' ' B' ' 62' ' ' SER . 43.4 mttm -74.1 -37.45 64.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 114.077 1.14 . . . . 10.0 114.077 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.03 -40.25 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -65.75 -34.69 78.76 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' B' ' 69' ' ' LYS . 37.4 mmtm -74.05 -35.03 64.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.261 178.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.29 -43.3 74.11 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.682 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.478 HG21 ' OD1' ' D' ' 55' ' ' ASN . 48.4 pt -67.8 -33.42 61.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.081 0.467 . . . . 10.0 110.479 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' B' ' 75' ' ' ILE . 4.1 t70 -72.72 -28.4 62.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.375 178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.56 72.63 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.355 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.09 73.31 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.627 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' B' ' 72' ' ' ASP . 37.2 mt -64.7 -46.12 93.2 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.596 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 72' ' ' ASP . 22.4 mt -57.46 -37.72 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.293 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -66.84 -37.58 84.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 10.0 111.36 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -96.06 9.67 40.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.362 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' B' ' 75' ' ' ILE . 2.7 t80 -90.37 28.12 1.53 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.955 0.407 . . . . 10.0 111.487 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' B' ' 80' ' ' ARG . 30.8 mtm-85 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.262 -0.875 . . . . 10.0 110.681 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.657 0.265 . . . . 10.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.03 104.68 17.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.524 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 2.6 p -127.33 108.9 21.26 Favored Pre-proline 0 C--N 1.333 -0.13 0 CA-C-O 121.001 0.429 . . . . 10.0 111.833 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -76.02 173.81 13.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.649 2.899 . . . . 10.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -78.12 109.84 12.56 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.104 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -159.18 153.06 23.2 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.79 -171.77 31.43 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.201 -0.523 . . . . 10.0 112.412 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -67.3 -33.64 75.7 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.226 0.454 . . . . 10.0 112.226 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.558 ' H ' HD23 ' C' ' 9' ' ' LEU . 1.1 pt? -66.85 -29.0 68.79 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.91 -28.89 63.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.362 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -74.71 -36.73 62.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.338 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -68.26 -44.98 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.391 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 31.0 p -65.06 -39.34 93.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.031 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.0 -23.0 60.58 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.213 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -64.43 -42.77 95.83 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.201 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.533 ' HB3' ' HD1' ' C' ' 57' ' ' TYR . 44.6 m-85 -74.5 -32.23 62.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.472 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -64.93 -40.58 95.27 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -73.74 -27.16 61.04 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.936 0.398 . . . . 10.0 111.02 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.29 -41.52 37.85 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.044 -0.598 . . . . 10.0 112.719 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.525 HG22 ' O ' ' C' ' 16' ' ' PHE . 34.6 m -102.14 27.11 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.639 0.256 . . . . 10.0 111.677 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.67 -51.22 70.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.934 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -92.64 -12.96 30.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.828 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.441 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.2 tm? -70.94 -40.37 72.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.305 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -64.05 -38.16 90.05 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -72.07 -26.78 62.3 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.532 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -73.13 -25.7 60.94 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.773 0.32 . . . . 10.0 110.724 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 23' ' ' LEU . 87.9 t -71.65 -47.78 55.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.341 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.5 p -66.53 -33.75 76.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.577 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.54 -29.52 68.11 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.929 0.395 . . . . 10.0 110.417 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.91 -26.56 60.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.827 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' C' ' 31' ' ' LEU . 0.9 OUTLIER -71.38 -42.18 68.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.552 179.096 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.41 -31.3 68.45 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.641 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' C' ' 37' ' ' LYS . 0.2 OUTLIER -69.83 -46.07 66.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.461 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -26.03 66.27 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.437 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ALA . . . . . 0.435 ' O ' ' HA3' ' A' ' 19' ' ' GLY . . . -57.07 -35.83 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.72 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.56 25.33 9.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' C' ' 37' ' ' LYS . 33.6 mmtm -116.44 113.76 40.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.205 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' C' ' 37' ' ' LYS . 10.5 Cg_endo -53.46 -72.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.359 2.706 . . . . 10.0 112.69 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -130.54 124.33 31.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.674 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.742 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.5 OUTLIER -137.91 93.58 11.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.814 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.95 -36.66 48.26 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.234 1.956 . . . . 10.0 112.198 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.41 -41.73 55.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.262 -0.426 . . . . 10.0 112.002 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.742 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.6 mm? -71.47 -28.7 64.12 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 tp -72.98 -36.18 67.02 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.76 0.314 . . . . 10.0 110.863 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.89 72.2 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.403 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.47 64.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.677 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -72.31 -39.8 67.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.08 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.27 -37.36 80.64 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 68.8 p -71.91 -38.79 69.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.453 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -78.54 -22.3 47.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 10.0 111.711 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -75.06 -35.65 61.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 10.0 110.586 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 73.6 p -73.32 -31.32 63.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.941 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.33 -35.98 82.63 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.444 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -65.66 -34.46 78.25 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.862 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -71.14 -38.93 72.24 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.224 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' C' ' 56' ' ' LEU . 0.5 OUTLIER -73.56 -31.34 63.58 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 -179.306 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 57' ' ' TYR . . . . . 0.533 ' HD1' ' HB3' ' C' ' 16' ' ' PHE . 0.0 OUTLIER -65.84 -42.93 89.9 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.741 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.798 ' NE ' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -75.59 -34.34 60.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.085 -0.961 . . . . 10.0 111.4 -179.304 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ASN . . . . . 0.405 ' HA ' ' NH2' ' C' ' 58' ' ' ARG . 7.9 m-20 -64.48 -43.19 94.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.998 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.43 -29.83 67.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.242 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.402 ' O ' HG12 ' C' ' 65' ' ' VAL . 32.4 tt0 -69.2 -46.37 67.59 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.247 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 62' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' C' ' 66' ' ' LYS . 59.5 p -71.62 -26.51 62.6 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.867 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 63' ' ' ASN . . . . . 0.467 ' O ' HG23 ' C' ' 67' ' ' VAL . 3.1 m-80 -75.34 -44.96 42.39 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -63.41 -38.91 92.95 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.402 HG12 ' O ' ' C' ' 61' ' ' GLN . 2.1 p -65.37 -45.5 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 121.082 -0.247 . . . . 10.0 111.488 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 66' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' C' ' 62' ' ' SER . 32.4 mmtm -66.3 -27.75 68.15 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 67' ' ' VAL . . . . . 0.467 HG23 ' O ' ' C' ' 63' ' ' ASN . 95.7 t -78.42 -54.21 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -61.39 -34.83 76.0 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.615 ' HE3' ' HA ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -72.2 -34.56 68.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.195 179.339 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.3 -34.03 76.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.653 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' ILE . . . . . 0.437 HG13 ' O ' ' C' ' 67' ' ' VAL . 83.9 mt -63.4 -44.44 98.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.603 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.38 -21.7 62.83 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.198 -0.456 . . . . 10.0 112.189 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.75 -41.59 83.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.02 0.438 . . . . 10.0 110.533 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.19 -28.83 61.47 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.182 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' C' ' 79' ' ' PHE . 64.8 mt -66.69 -47.18 83.93 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.36 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -30.09 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -66.51 -33.18 75.11 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.946 0.403 . . . . 10.0 110.832 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -108.69 13.45 25.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.915 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 79' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' C' ' 75' ' ' ILE . 39.0 t80 -84.56 -85.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.971 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 80' ' ' ARG . . . . . 0.987 ' HD3' ' HB3' ' D' ' 63' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.184 -0.912 . . . . 10.0 111.994 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.745 0.307 . . . . 10.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.87 112.24 21.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.767 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -117.62 106.78 45.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.036 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.0 155.65 47.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.619 2.213 . . . . 10.0 111.784 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.92 111.11 8.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 29.1 p -161.6 152.03 17.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.738 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.51 -174.77 34.64 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.517 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -67.02 -30.65 70.8 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.892 0.33 . . . . 10.0 111.892 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.416 ' H ' HD23 ' D' ' 9' ' ' LEU . 0.6 OUTLIER -71.09 -33.47 70.22 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.189 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -72.24 -28.66 63.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.008 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.58 -37.17 63.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.055 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -69.39 -44.63 80.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.268 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 43.3 p -64.3 -40.91 96.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.11 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -23.01 61.28 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.349 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -66.72 -38.53 86.88 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-O 120.931 0.396 . . . . 10.0 110.47 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.406 ' O ' HG22 ' D' ' 20' ' ' VAL . 64.5 m-85 -77.35 -34.76 55.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.203 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -65.5 -46.23 80.5 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.842 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -79.77 -24.45 41.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.67 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.93 -45.86 70.71 Favored Glycine 0 C--N 1.329 0.175 0 C-N-CA 120.855 -0.688 . . . . 10.0 112.952 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.693 ' HB ' HD21 ' D' ' 23' ' ' LEU . 33.4 m -113.62 32.16 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.31 0.576 . . . . 10.0 111.621 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.54 -30.73 69.94 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.24 -0.891 . . . . 10.0 113.2 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ASN . . . . . 0.42 ' O ' HG22 ' D' ' 25' ' ' THR . 14.0 m-80 -87.68 -36.99 17.11 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.764 1.394 . . . . 10.0 114.764 -178.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.705 HD13 ' H ' ' D' ' 23' ' ' LEU 0.418 0.0 OUTLIER -71.39 -20.2 62.17 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 114.335 1.235 . . . . 10.0 114.335 -179.941 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -61.03 -44.5 97.32 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.42 HG22 ' O ' ' D' ' 22' ' ' ASN . 15.1 t -73.18 -26.57 61.23 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.374 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -69.0 -26.67 65.13 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.727 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.544 HG23 ' O ' ' D' ' 23' ' ' LEU . 96.3 t -73.25 -48.19 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.043 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.058 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.3 p -63.85 -32.93 74.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.213 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -71.94 -29.54 64.39 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.683 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.29 -28.02 61.87 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.737 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' D' ' 31' ' ' LEU . 0.3 OUTLIER -73.15 -36.88 66.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.852 179.338 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.55 -36.09 81.83 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.785 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' LYS . . . . . 0.594 ' O ' ' HG2' ' D' ' 37' ' ' LYS . 62.3 mttp -71.4 -45.98 61.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.259 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -25.38 68.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.607 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 35' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' B' ' 15' ' ' LYS . . . -51.16 -37.28 45.46 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.72 24.77 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' LYS . . . . . 0.601 ' HB3' ' OD1' ' D' ' 40' ' ' ASP . 42.8 mmtm -116.55 107.86 46.1 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.25 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.49 -75.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.727 2.285 . . . . 10.0 112.38 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' SER . . . . . 0.48 ' OG ' HD22 ' A' ' 9' ' ' LEU . 64.3 p -109.45 123.78 49.94 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 178.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.601 ' OD1' ' HB3' ' D' ' 37' ' ' LYS . 0.4 OUTLIER -137.3 102.88 8.82 Favored Pre-proline 0 N--CA 1.442 -0.825 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -177.393 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' D' ' 40' ' ' ASP . 24.0 Cg_endo -65.05 -45.79 7.24 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.292 1.995 . . . . 10.0 112.238 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.22 -53.51 7.26 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.737 1.014 . . . . 10.0 113.737 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.72 -33.8 73.43 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 114.52 1.304 . . . . 10.0 114.52 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.562 ' CD1' ' HB2' ' D' ' 40' ' ' ASP . 5.0 mp -76.54 -32.9 58.5 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.94 91.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.958 0.409 . . . . 10.0 110.936 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.42 -32.52 70.17 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.398 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -72.8 -36.17 67.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.327 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 48' ' ' GLN . . . . . 0.52 ' HB3' ' HZ1' ' C' ' 66' ' ' LYS . 37.0 mt-30 -60.99 -43.08 99.39 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.201 0.313 . . . . 10.0 111.729 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.8 p -68.4 -40.16 81.42 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -77.74 -19.16 55.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.963 0.411 . . . . 10.0 111.423 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.92 -46.66 51.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.637 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 69.4 p -74.0 -27.48 60.98 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.574 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -62.35 -35.93 80.64 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.03 -36.64 83.81 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.431 -0.804 . . . . 10.0 108.842 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 55' ' ' ASN . . . . . 0.478 ' OD1' HG21 ' B' ' 71' ' ' ILE . 0.8 OUTLIER -56.44 -53.24 59.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.439 -1.255 . . . . 10.0 111.514 179.139 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.03 -29.04 64.85 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -45.1 92.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.034 0.445 . . . . 10.0 110.583 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -31.11 50.12 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.244 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -63.11 -55.91 21.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.575 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.06 -31.43 72.65 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 61' ' ' GLN . . . . . 0.401 ' O ' HG23 ' D' ' 65' ' ' VAL . 51.5 tt0 -69.51 -49.93 49.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 62' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' D' ' 66' ' ' LYS . 92.5 p -68.59 -32.44 72.35 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.987 ' HB3' ' HD3' ' C' ' 80' ' ' ARG . 48.3 m-20 -65.83 -37.19 85.56 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 33.7 p -69.77 -37.6 76.45 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 65' ' ' VAL . . . . . 0.428 HG23 ' H ' ' D' ' 65' ' ' VAL . 2.1 t -59.42 -44.42 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.921 0.391 . . . . 10.0 111.927 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 66' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' D' ' 62' ' ' SER . 33.7 mmtm -70.64 -36.52 73.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.788 1.033 . . . . 10.0 113.788 -177.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.528 ' O ' HG12 ' D' ' 71' ' ' ILE . 91.7 t -79.77 -42.42 22.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.383 0.882 . . . . 10.0 113.383 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -61.36 -34.71 75.76 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.064 0.459 . . . . 10.0 110.271 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -72.92 -35.04 66.97 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.123 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.6 -37.58 87.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.552 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 71' ' ' ILE . . . . . 0.528 HG12 ' O ' ' D' ' 67' ' ' VAL . 39.6 mm -64.46 -47.97 87.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.147 0.498 . . . . 10.0 110.403 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 72' ' ' ASP . . . . . 0.61 ' O ' HG12 ' D' ' 76' ' ' ILE . 3.0 t70 -67.83 -27.96 67.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.58 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.5 87.77 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.144 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.14 75.14 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.105 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 68.3 mt -68.45 -37.81 78.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.903 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 76' ' ' ILE . . . . . 0.61 HG12 ' O ' ' D' ' 72' ' ' ASP . 46.5 mm -61.26 -37.9 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.166 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -67.54 -35.53 79.24 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.293 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -95.86 10.61 36.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.284 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -91.06 28.41 1.61 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.736 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.346 -0.835 . . . . 10.0 110.875 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.712 0.292 . . . . 10.0 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.41 114.05 26.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.421 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 p -95.59 128.72 36.94 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.634 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.19 137.99 35.45 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.73 2.286 . . . . 10.0 111.525 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.553 ' HZ2' HD23 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -76.42 110.46 10.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.74 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.2 p -141.73 153.68 44.78 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 111.783 0.29 . . . . 10.0 111.783 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.99 168.46 41.6 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.522 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -66.66 -37.97 85.87 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' D' ' 39' ' ' SER . 0.6 OUTLIER -74.92 -30.61 61.31 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.774 179.503 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.451 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 13.9 m-20 -69.43 -34.99 75.25 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.291 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -71.51 -36.18 70.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.26 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -73.49 -28.08 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.877 0.37 . . . . 10.0 111.753 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -73.27 -43.27 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 10.0 110.836 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.42 -25.64 62.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.906 -0.588 . . . . 10.0 112.145 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.643 ' HG2' ' O ' ' A' ' 12' ' ' VAL . 18.2 ptmt -70.14 -38.39 75.51 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.57 0.224 . . . . 10.0 111.259 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' O ' HG22 ' A' ' 20' ' ' VAL . 13.4 m-85 -70.34 -34.57 72.81 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.115 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -66.23 -50.94 62.08 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -68.17 -23.63 64.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 10.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.27 -36.0 70.33 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.538 -0.756 . . . . 10.0 113.315 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 16' ' ' PHE . 29.3 m -115.76 31.85 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.948 0.404 . . . . 10.0 111.271 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.77 -7.11 46.21 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.458 ' O ' HG22 ' A' ' 25' ' ' THR . 17.0 t-20 -116.33 -23.74 8.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 10.0 109.924 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -65.77 -30.69 71.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.937 -1.029 . . . . 10.0 110.992 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.84 -44.99 94.66 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 22' ' ' ASN . 12.3 t -68.74 -26.31 65.18 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.785 0.326 . . . . 10.0 111.278 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -69.75 -27.53 65.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.173 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 23' ' ' LEU . 21.9 t -72.76 -45.03 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.61 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.5 p -68.26 -26.68 65.8 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.476 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' O ' ' HD3' ' A' ' 33' ' ' LYS . 26.2 tt0 -66.45 -49.44 66.67 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.236 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.25 -24.19 63.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.756 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -70.83 -36.3 72.84 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.95 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -67.64 -38.29 83.62 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.767 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HD3' ' O ' ' A' ' 29' ' ' GLU . 5.5 mppt? -71.38 -26.41 62.77 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.488 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -77.87 -26.03 49.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.847 -179.55 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -23.16 63.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.27 6.38 24.53 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 44.4 mmtm -116.56 126.73 27.3 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.602 0.239 . . . . 10.0 111.619 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 9.7 Cg_exo -72.56 -68.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.993 2.462 . . . . 10.0 111.2 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -121.8 123.91 42.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.609 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.673 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -137.67 98.81 9.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.488 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 26.4 Cg_endo -63.76 -41.35 24.7 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.468 2.112 . . . . 10.0 112.631 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.27 -43.06 43.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.673 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.1 mm? -70.34 -27.33 64.27 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.77 -31.85 67.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.553 0.216 . . . . 10.0 111.535 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.78 75.64 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.833 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.41 65.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.428 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -72.27 -35.16 68.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.828 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -67.67 -43.25 80.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.859 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 m -69.18 -39.08 78.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.258 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -73.38 -27.41 61.46 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.382 0.512 . . . . 10.0 112.382 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -72.64 -39.45 67.19 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.3 m -71.01 -29.74 65.77 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.001 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.44 -37.3 87.04 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.252 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -67.92 -35.65 78.82 Favored 'General case' 0 C--N 1.337 0.038 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.629 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -74.97 -19.83 59.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.07 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -73.36 -45.39 55.3 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.585 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -33.44 66.86 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.894 0.378 . . . . 10.0 111.234 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -41.37 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.199 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -77.38 -32.59 55.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.257 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.79 83.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.725 0.297 . . . . 10.0 110.996 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.44 ' O ' HG22 ' A' ' 65' ' ' VAL . 32.1 tt0 -71.2 -41.27 70.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.328 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.444 ' HB2' ' HB1' ' B' ' 45' ' ' ALA . 51.5 p -71.87 -25.6 62.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.584 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 67' ' ' VAL . 68.1 m-20 -76.16 -36.86 58.55 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 111.921 0.341 . . . . 10.0 111.921 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -42.6 88.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.741 0.305 . . . . 10.0 111.209 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.591 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 15.8 m -80.01 -15.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.983 0.735 . . . . 10.0 112.983 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 62' ' ' SER . 3.6 ttpp -85.28 -47.53 9.96 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 120.655 -0.418 . . . . 10.0 111.673 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 63' ' ' ASN . 6.5 t -69.22 -35.47 68.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 10.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CZ ' ' HD3' ' D' ' 41' ' ' PRO . 10.5 t80 -70.48 -39.53 74.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.966 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -65.84 -33.42 75.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.165 179.135 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.12 -47.29 74.62 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.799 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.807 HD11 ' HB3' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -70.05 -34.55 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.062 0.458 . . . . 10.0 111.071 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.22 -46.82 72.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.97 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.93 -33.89 67.43 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.62 -48.6 76.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.004 0.43 . . . . 10.0 110.374 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.83 -50.59 74.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.818 0.818 . . . . 10.0 110.186 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.594 HD11 HD13 ' D' ' 44' ' ' LEU . 0.8 OUTLIER -56.41 -44.93 81.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.836 -1.074 . . . . 10.0 113.518 -179.035 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -76.7 -11.24 59.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.12 0.486 . . . . 10.0 111.688 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.537 ' C ' ' H ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -77.57 -19.11 56.18 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.584 178.697 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.68 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 41.9 m-85 -66.95 28.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.254 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.537 ' H ' ' C ' ' A' ' 78' ' ' ASN . 43.9 ttp180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.5 -0.762 . . . . 10.0 111.515 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.766 0.317 . . . . 10.0 110.909 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.86 120.32 27.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 25.2 p -100.33 125.45 39.44 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.058 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.67 131.84 27.11 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.753 2.302 . . . . 10.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.73 111.46 8.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.619 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 28.9 p -148.47 144.47 27.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.309 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.34 169.24 35.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.0 -0.619 . . . . 10.0 112.232 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -66.68 -38.78 87.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.311 . . . . 10.0 111.263 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -30.13 63.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.827 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.79 -35.12 69.91 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.005 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -68.98 -36.09 77.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.776 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.33 -36.14 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.989 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -66.48 -48.28 70.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.011 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.81 -23.37 61.54 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.306 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -42.19 95.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.704 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.595 ' O ' HG22 ' B' ' 20' ' ' VAL . 16.0 m-85 -75.68 -34.97 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.615 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.27 -52.58 53.45 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.539 1.311 . . . . 10.0 114.539 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 11.5 m -64.43 -24.88 67.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.194 0.521 . . . . 10.0 110.866 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.47 -39.92 29.19 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 114.885 0.714 . . . . 10.0 114.885 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.595 HG22 ' O ' ' B' ' 16' ' ' PHE . 34.0 m -108.44 31.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.441 0.639 . . . . 10.0 111.8 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.18 18.66 0.83 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.951 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.439 ' O ' HG22 ' B' ' 25' ' ' THR . 13.9 t-20 -129.5 -33.83 1.85 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.536 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.651 ' O ' HG23 ' B' ' 27' ' ' VAL . 2.4 pp -68.29 -21.37 64.79 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.418 ' N ' HD12 ' B' ' 23' ' ' LEU . 56.6 tt0 -61.79 -45.17 95.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.67 0.271 . . . . 10.0 110.998 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.439 HG22 ' O ' ' B' ' 22' ' ' ASN . 14.6 t -71.92 -26.06 62.15 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.862 0.363 . . . . 10.0 110.349 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -71.38 -26.92 62.99 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.074 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 23' ' ' LEU . 60.2 t -72.74 -45.46 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 40.2 p -68.94 -26.75 65.23 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.175 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.468 ' O ' ' HD3' ' B' ' 33' ' ' LYS . 25.9 tt0 -66.77 -48.78 68.0 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.934 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.91 -24.26 63.35 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.763 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.47 -36.06 71.06 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.015 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -66.97 -40.07 87.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.506 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' B' ' 29' ' ' GLU . 6.3 mppt? -71.6 -21.88 61.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.135 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -74.65 -34.08 62.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.048 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.15 -12.07 60.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.822 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.55 8.1 29.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 44.7 mmtm -126.66 127.49 24.48 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.592 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 14.8 Cg_exo -70.85 -60.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.835 2.357 . . . . 10.0 110.479 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 63.3 m -128.69 124.26 35.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.6 OUTLIER -137.1 95.91 11.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 32.3 Cg_endo -64.47 -32.42 59.8 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.389 2.059 . . . . 10.0 111.175 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.19 -51.27 12.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.336 -0.847 . . . . 10.0 112.256 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.0 mm? -69.55 -22.97 63.51 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 tp -72.24 -32.7 66.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 10.0 110.797 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' A' ' 62' ' ' SER . . . -73.31 -37.53 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.727 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.24 -33.3 65.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.558 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -72.62 -34.17 67.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.86 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -68.3 -43.57 77.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.542 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -69.18 -38.5 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.115 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -74.19 -30.6 62.3 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.228 -0.442 . . . . 10.0 112.024 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -69.16 -38.24 78.65 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.516 ' O ' HD13 ' B' ' 56' ' ' LEU . 49.9 m -73.08 -29.2 62.77 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.411 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.498 ' HA ' HD22 ' B' ' 56' ' ' LEU . 21.9 mt-10 -63.28 -36.84 85.0 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 177.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -66.45 -36.4 82.7 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.643 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -74.14 -20.99 60.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.828 -0.623 . . . . 10.0 110.959 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.516 HD13 ' O ' ' B' ' 52' ' ' SER . 1.0 OUTLIER -67.34 -46.87 72.16 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.8 0.334 . . . . 10.0 110.39 179.788 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -41.76 61.09 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -50.6 35.92 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.897 1.073 . . . . 10.0 113.897 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -74.05 -23.93 59.46 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.917 1.08 . . . . 10.0 113.917 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.41 -38.11 63.18 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -69.31 -34.38 74.58 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 40.2 t -71.4 -36.93 71.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.268 -0.878 . . . . 10.0 110.465 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.68 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 21.4 m-20 -75.55 -35.51 60.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 10.0 112.33 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -69.91 -41.27 74.89 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.72 -19.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.359 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -77.18 -48.18 18.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.429 HG22 ' OXT' ' A' ' 80' ' ' ARG . 7.8 t -67.65 -37.92 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -65.29 -39.67 92.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.121 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' B' ' 69' ' ' LYS . 28.2 mmtp -69.31 -34.62 74.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.575 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.72 -47.93 70.81 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.817 0.303 . . . . 10.0 111.817 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.01 -35.9 66.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 121.201 0.524 . . . . 10.0 111.395 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -72.49 -32.32 66.1 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.979 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.45 -33.06 75.06 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.643 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.35 93.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.086 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.553 HG12 ' HB2' ' D' ' 62' ' ' SER . 43.4 mt -68.58 -51.12 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.373 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.47 -43.21 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.097 -0.502 . . . . 10.0 112.175 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -71.84 -18.51 62.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.956 0.408 . . . . 10.0 110.786 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.87 -27.61 62.01 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.387 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -75.17 74.26 2.31 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.343 -0.389 . . . . 10.0 112.006 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.46 -0.781 . . . . 10.0 111.281 179.379 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.73 0.3 . . . . 10.0 110.948 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.74 114.9 23.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.787 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 22.0 p -103.32 123.05 43.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.262 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.36 149.37 56.65 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.848 2.365 . . . . 10.0 112.71 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -76.19 114.37 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.048 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -140.41 128.69 22.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 10.0 111.579 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.26 164.56 31.51 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.957 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -65.94 -35.29 80.19 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.849 0.357 . . . . 10.0 111.405 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.03 -29.49 60.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.101 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.69 -34.93 67.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.449 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -71.62 -36.95 70.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.98 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.856 HG11 HG21 ' C' ' 64' ' ' THR . 8.2 p -74.65 -27.5 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 111.933 0.346 . . . . 10.0 111.933 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 63.6 m -69.8 -47.8 61.48 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.763 0.316 . . . . 10.0 110.693 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.56 -23.35 63.55 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.591 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -64.99 -41.16 95.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.666 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.436 ' O ' HG22 ' C' ' 20' ' ' VAL . 29.1 m-85 -77.33 -31.42 54.51 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.402 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -65.39 -42.64 92.43 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 8.4 m -76.29 -24.5 54.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.835 0.35 . . . . 10.0 111.188 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -36.08 75.65 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.956 -0.64 . . . . 10.0 112.772 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' C' ' 23' ' ' LEU . 30.6 m -111.06 30.91 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.73 0.3 . . . . 10.0 111.653 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.24 -18.73 63.91 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.883 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -108.96 -19.45 13.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.511 0.672 . . . . 10.0 109.846 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.529 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 2.9 tm? -65.87 -34.31 77.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.226 -0.897 . . . . 10.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.07 -45.73 93.55 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -68.42 -26.26 65.44 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.737 0.303 . . . . 10.0 111.633 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -71.16 -26.86 63.17 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.568 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.479 HG23 ' O ' ' C' ' 23' ' ' LEU . 16.7 t -73.2 -45.15 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.82 0.343 . . . . 10.0 110.392 179.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 34.4 p -68.17 -25.21 65.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.497 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.23 -49.31 61.57 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.019 0.437 . . . . 10.0 110.413 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.06 -25.09 65.18 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.282 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.65 -40.55 76.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.258 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.84 -32.09 73.48 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.424 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -71.58 -31.92 67.49 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.731 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.95 -24.6 43.83 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.542 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.04 -39.89 13.73 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.056 0.761 . . . . 10.0 113.056 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.93 24.55 5.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 114.193 1.183 . . . . 10.0 114.193 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.461 ' HB3' ' OD2' ' C' ' 40' ' ' ASP . 0.0 OUTLIER -104.96 122.12 44.3 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.149 178.461 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.63 -73.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.028 2.486 . . . . 10.0 112.55 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -136.81 125.04 23.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.003 0.43 . . . . 10.0 110.751 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.2 OUTLIER -135.13 98.38 12.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.031 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.9 -35.82 75.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.769 2.313 . . . . 10.0 112.679 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.28 47.28 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.7 mm? -72.46 -22.98 60.99 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 112.589 0.589 . . . . 10.0 112.589 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.76 -31.64 66.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.548 0.213 . . . . 10.0 111.416 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.8 75.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.813 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.81 63.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.335 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' C' ' 51' ' ' LEU . 45.5 t80 -71.65 -38.87 70.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.565 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -68.64 -40.41 80.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.843 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -69.04 -44.3 72.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.347 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -70.17 -30.1 67.16 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' C' ' 47' ' ' TYR . 0.5 OUTLIER -65.31 -51.78 58.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.448 179.625 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -67.36 -28.98 68.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.632 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.45 -36.47 73.72 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -69.17 -36.97 77.93 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.219 -0.9 . . . . 10.0 109.48 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -71.68 -26.34 62.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.669 -0.696 . . . . 10.0 112.385 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.479 ' HA ' HD13 ' C' ' 56' ' ' LEU . 0.9 OUTLIER -74.06 -41.22 62.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -35.93 68.73 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.986 0.422 . . . . 10.0 110.92 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.807 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -73.07 -40.61 64.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.81 -179.469 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -75.99 -24.54 55.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.957 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.89 68.61 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.772 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -70.86 -43.2 68.93 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' C' ' 66' ' ' LYS . 27.8 p -70.53 -23.09 62.57 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 63' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' C' ' 66' ' ' LYS . 31.9 m-20 -76.55 -38.75 54.53 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 64' ' ' THR . . . . . 0.856 HG21 HG11 ' C' ' 12' ' ' VAL . 4.6 m -64.4 -46.69 82.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.998 0.427 . . . . 10.0 110.039 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.613 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 22.4 m -74.69 -13.66 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.699 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 66' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' C' ' 62' ' ' SER . 0.0 OUTLIER -78.27 -49.52 13.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.899 0.381 . . . . 10.0 110.682 179.629 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.91 -42.88 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.255 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.04 -45.25 93.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.851 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' C' ' 65' ' ' VAL . 0.0 OUTLIER -68.27 -34.05 75.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.884 0.698 . . . . 10.0 112.884 -179.522 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -48.62 77.82 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.766 0.284 . . . . 10.0 111.766 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 32.5 pt -74.68 -29.75 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.659 0.266 . . . . 10.0 111.476 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 72' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 26.7 t70 -72.53 -35.05 67.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.634 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.59 -27.36 63.08 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.808 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -43.86 74.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.206 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 59.7 mt -74.73 -43.06 47.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.58 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' ILE . . . . . 0.64 ' HA ' ' HD2' ' C' ' 79' ' ' PHE . 1.7 tp -62.22 -33.37 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.784 -0.644 . . . . 10.0 112.195 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.9 -18.28 35.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.92 0.39 . . . . 10.0 110.35 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 78' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' C' ' 80' ' ' ARG . 0.0 OUTLIER -77.67 -11.81 59.91 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.862 178.564 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 79' ' ' PHE . . . . . 0.64 ' HD2' ' HA ' ' C' ' 76' ' ' ILE . 10.1 m-85 -72.0 28.91 0.05 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.399 -0.819 . . . . 10.0 112.276 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 80' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' C' ' 78' ' ' ASN . 26.8 mtm180 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.343 -0.837 . . . . 10.0 110.714 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.761 0.315 . . . . 10.0 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.86 119.24 25.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 24.4 p -100.68 125.81 37.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.947 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.65 135.52 39.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.686 2.258 . . . . 10.0 112.382 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.46 111.52 10.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.619 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 23.9 p -147.38 146.98 29.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.579 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.34 170.95 37.24 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.007 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -66.5 -40.71 89.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.736 0.303 . . . . 10.0 111.665 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.596 ' H ' HD23 ' D' ' 9' ' ' LEU . 1.0 OUTLIER -74.43 -26.06 59.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.398 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -72.06 -35.92 69.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.355 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -71.12 -36.2 72.05 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.623 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -67.35 -38.23 80.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.952 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 69.4 m -65.72 -47.1 76.48 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.455 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.41 -24.29 64.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.53 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -68.72 -36.71 78.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.805 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.522 ' O ' HG22 ' D' ' 20' ' ' VAL . 23.1 m-85 -76.4 -36.33 58.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.284 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.23 -44.33 88.57 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.196 -0.456 . . . . 10.0 112.221 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 14.4 m -76.6 -25.99 54.51 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.83 0.348 . . . . 10.0 111.008 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.73 82.27 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.083 -0.579 . . . . 10.0 113.033 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.522 HG22 ' O ' ' D' ' 16' ' ' PHE . 35.8 m -111.68 31.73 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.952 0.406 . . . . 10.0 111.269 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.34 -21.89 66.75 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.713 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -101.35 -13.94 17.81 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.98 0.419 . . . . 10.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.429 ' O ' HG23 ' D' ' 27' ' ' VAL . 1.6 tm? -69.28 -35.32 75.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.15 -43.12 99.37 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 14.5 t -71.58 -26.49 62.63 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -72.36 -30.54 64.81 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.625 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.429 HG23 ' O ' ' D' ' 23' ' ' LEU . 64.7 t -73.41 -41.71 56.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.068 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 46.5 p -69.17 -25.65 64.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.219 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.435 ' O ' ' HD3' ' D' ' 33' ' ' LYS . 25.1 tt0 -69.32 -47.2 65.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.885 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.23 -23.74 63.92 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.314 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -68.18 -39.09 82.6 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.773 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -70.62 -39.07 73.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.138 -0.483 . . . . 10.0 112.221 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' D' ' 29' ' ' GLU . 9.4 mtpt -71.58 -36.17 70.78 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -24.4 52.67 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.56 -49.01 48.07 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.269 . . -103.89 25.38 9.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.488 1.292 . . . . 10.0 114.488 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -121.82 107.52 35.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 107.879 -1.156 . . . . 10.0 107.879 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.51 -74.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.693 2.262 . . . . 10.0 113.458 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 12.5 m -100.13 130.81 46.31 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 29.1 m-20 -132.0 105.08 13.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 113.75 1.018 . . . . 10.0 113.75 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 41.0 Cg_endo -70.04 -51.75 0.34 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 120.931 1.088 . . . . 10.0 111.644 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.28 6.8 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 113.505 0.928 . . . . 10.0 113.505 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.465 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.3 mm? -59.06 -27.28 65.37 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.594 HD13 HD11 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -82.74 -31.06 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.601 0.593 . . . . 10.0 112.601 -179.62 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.34 -35.81 80.14 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.763 0.316 . . . . 10.0 110.874 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.35 -43.41 60.75 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.947 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.77 -32.65 74.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.386 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 48' ' ' GLN . . . . . 0.417 ' OE1' HG21 ' C' ' 65' ' ' VAL . 17.5 tm0? -65.0 -52.65 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.519 -0.764 . . . . 10.0 112.782 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 46.8 m -64.96 -38.1 89.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -72.29 -26.54 62.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 114.352 1.242 . . . . 10.0 114.352 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -39.74 66.23 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.075 -0.65 . . . . 10.0 109.365 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -69.18 -28.66 66.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.72 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.43 -37.48 87.46 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -69.9 -32.01 70.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.997 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -75.75 -23.4 56.0 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.094 -0.957 . . . . 10.0 112.038 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' D' ' 56' ' ' LEU . 0.7 OUTLIER -74.02 -41.32 62.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -30.66 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 10.0 111.204 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -40.92 47.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.267 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -78.71 -40.92 32.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.605 0.594 . . . . 10.0 112.605 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.15 90.0 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.726 0.269 . . . . 10.0 111.726 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.73 -37.74 82.61 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 62' ' ' SER . . . . . 0.553 ' HB2' HG12 ' B' ' 75' ' ' ILE . 38.8 t -70.3 -28.14 64.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.353 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.49 ' OD1' HG13 ' C' ' 76' ' ' ILE . 10.3 m120 -76.65 -37.69 55.84 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 20.0 p -63.72 -39.99 95.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.899 0.381 . . . . 10.0 110.661 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 15.2 t -77.61 -25.17 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.419 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -66.61 -47.79 71.56 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.614 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.403 HG23 ' O ' ' D' ' 63' ' ' ASN . 40.4 t -64.77 -48.71 83.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.214 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.35 -46.12 89.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.366 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' D' ' 69' ' ' LYS . 26.0 mmtp -62.99 -34.68 78.07 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -47.84 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 32.7 pt -72.02 -32.6 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -72.28 -33.27 67.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.459 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.36 -31.29 71.44 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.686 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.96 -38.23 79.29 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.702 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.34 -45.54 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.107 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 98.6 mt -61.53 -36.29 72.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -78.98 -16.46 56.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.837 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -20.8 56.62 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.35 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -77.8 29.82 0.16 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.628 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.174 -0.917 . . . . 10.0 111.04 -179.527 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.736 0.303 . . . . 10.0 110.965 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.58 140.42 29.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.062 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 p -97.29 126.48 41.7 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.244 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -70.13 142.94 47.57 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.724 2.283 . . . . 10.0 112.845 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -72.42 110.81 7.09 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.404 -0.817 . . . . 10.0 110.297 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -158.69 115.53 2.77 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.9 165.43 30.62 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 115.485 0.954 . . . . 10.0 115.485 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -39.32 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.269 -0.965 . . . . 10.0 109.583 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' B' ' 49' ' ' SER . 0.0 OUTLIER -75.57 -29.16 59.24 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.341 -0.845 . . . . 10.0 111.526 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.91 -39.14 90.3 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.607 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -74.63 -35.94 62.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.371 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.38 -41.94 89.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.618 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.8 m -67.18 -42.2 84.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.24 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -23.02 62.12 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.259 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -67.2 -43.67 81.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.878 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -73.7 -27.5 61.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.288 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -63.61 -48.44 77.33 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -71.52 -23.58 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 10.0 110.171 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.53 -40.66 90.88 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.579 -0.737 . . . . 10.0 113.295 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 m -114.91 31.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.388 . . . . 10.0 111.504 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.04 -45.46 85.33 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 25' ' ' THR . 8.5 t-20 -91.43 -14.61 30.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.402 0.62 . . . . 10.0 110.129 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.9 tm? -66.73 -38.78 87.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.354 -0.839 . . . . 10.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -63.75 -36.73 84.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 22' ' ' ASN . 12.2 t -72.99 -26.4 61.33 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.798 0.332 . . . . 10.0 111.021 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -74.35 -24.26 59.14 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.613 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 23' ' ' LEU . 58.2 t -71.24 -46.52 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.045 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.5 p -70.32 -29.04 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.419 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -70.35 -41.06 73.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.015 0.436 . . . . 10.0 110.218 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.89 -24.25 52.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.298 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -67.91 -43.65 78.74 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.611 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.81 -31.14 67.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.247 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -66.95 -38.78 86.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.266 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.89 -39.13 69.79 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.195 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.13 -19.98 59.63 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.75 -8.82 42.69 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.1 mmtm -118.67 136.45 24.16 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.752 -0.204 . . . . 10.0 110.948 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 46.8 Cg_exo -57.72 -69.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.014 2.476 . . . . 10.0 111.866 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 p -133.51 123.51 25.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.329 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -138.04 94.54 11.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.757 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 23.6 Cg_endo -63.34 -32.88 71.99 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.482 2.121 . . . . 10.0 112.58 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.39 -45.64 37.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.246 -0.434 . . . . 10.0 112.119 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.49 -22.12 61.1 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.794 0.294 . . . . 10.0 111.794 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.79 -33.5 66.3 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.543 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.03 88.84 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.34 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.15 64.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.659 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -72.38 -41.33 66.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.478 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -66.75 -33.94 76.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.37 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.9 m -76.08 -41.18 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.489 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 67.9 mmtt -74.75 -27.52 60.38 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.16 -35.14 61.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.978 0.418 . . . . 10.0 110.316 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.3 p -74.57 -29.14 61.23 Favored 'General case' 0 C--O 1.23 0.048 0 CA-C-N 115.866 -0.607 . . . . 10.0 110.406 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.62 -36.85 83.58 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.088 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -68.71 -35.48 77.22 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.729 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -65.6 -43.61 89.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.038 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.32 -28.65 65.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.585 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.53 -58.3 6.76 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.843 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -70.03 -20.39 63.26 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -74.29 -35.44 63.71 Favored 'General case' 0 C--N 1.334 -0.09 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.6 63.91 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.345 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 65' ' ' VAL . 14.7 mm-40 -69.05 -42.76 75.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.625 -0.716 . . . . 10.0 111.705 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.0 p -71.37 -28.24 63.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.048 0.388 . . . . 10.0 112.048 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.8 -37.73 62.28 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 p -69.91 -47.54 62.09 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.924 0.713 . . . . 10.0 112.924 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 1.4 m -72.86 -20.6 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -77.91 -48.47 16.26 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 111.824 0.305 . . . . 10.0 111.824 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.5 t -73.98 -42.61 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -58.98 -40.6 85.31 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 111.633 0.234 . . . . 10.0 111.633 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -72.7 -34.68 67.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.29 179.361 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.53 -41.04 98.6 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.595 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.64 HG13 ' O ' ' A' ' 67' ' ' VAL . 1.4 mt -64.59 -47.29 89.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 178.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.675 ' HA ' HD11 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -60.15 -26.98 66.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 113.898 -1.501 . . . . 10.0 113.578 -178.802 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.34 -36.44 61.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.946 0.403 . . . . 10.0 110.238 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -45.01 69.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.696 -0.684 . . . . 10.0 112.09 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.675 HD11 ' HA ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -60.05 -43.95 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 -178.507 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.6 HG12 ' O ' ' A' ' 72' ' ' ASP . 12.4 pt -74.02 -24.32 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -69.41 -23.83 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -74.58 -35.92 63.02 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 115.366 -0.833 . . . . 10.0 109.578 177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.792 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 3.5 m-85 -71.73 129.78 39.52 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 107.649 -1.241 . . . . 10.0 107.649 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.629 ' O ' ' HA ' ' B' ' 63' ' ' ASN . 7.8 tpt180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.01 -0.995 . . . . 10.0 112.176 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.718 0.294 . . . . 10.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.01 144.64 26.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.058 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m -97.22 120.77 60.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.43 136.81 37.86 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.653 2.236 . . . . 10.0 112.442 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -68.59 113.88 6.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.482 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 9.4 p -156.48 109.77 2.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.566 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.77 162.02 38.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.85 -0.691 . . . . 10.0 113.05 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.444 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.8 OUTLIER -66.77 -45.55 78.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.693 0.282 . . . . 10.0 111.273 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -21.79 59.22 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.651 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.88 -40.12 94.62 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.666 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.82 -36.4 62.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.646 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 8' ' ' TYR . 99.2 t -62.74 -46.53 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.176 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -66.14 -37.95 86.93 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.397 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.92 -22.93 62.18 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.576 ' HD3' ' HA ' ' D' ' 32' ' ' ASP . 0.3 OUTLIER -69.44 -43.53 73.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.415 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -71.96 -27.76 62.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.075 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.26 -52.91 62.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.452 -0.795 . . . . 10.0 112.288 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -71.86 -22.1 61.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.45 -51.01 60.66 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 114.807 -1.088 . . . . 10.0 114.645 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.693 HG12 HD21 ' B' ' 23' ' ' LEU . 30.9 m -112.35 26.09 3.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.938 0.399 . . . . 10.0 110.918 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.24 -28.96 70.09 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.899 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.495 ' O ' HG22 ' B' ' 25' ' ' THR . 8.8 t-20 -100.51 -31.97 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.693 HD21 HG12 ' B' ' 20' ' ' VAL 0.282 2.8 pp -70.61 -21.7 62.62 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -62.4 -41.32 98.57 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.676 0.274 . . . . 10.0 110.842 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.495 HG22 ' O ' ' B' ' 22' ' ' ASN . 9.4 t -73.67 -26.08 60.56 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.982 0.42 . . . . 10.0 110.015 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -72.44 -24.47 61.22 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.442 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 23' ' ' LEU . 98.2 t -72.58 -45.69 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.3 p -69.37 -27.15 65.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.734 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -74.51 -39.01 62.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.075 -0.511 . . . . 10.0 109.807 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.95 -24.26 52.37 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.122 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -68.63 -44.15 74.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.021 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.7 -30.93 67.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.676 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -65.6 -39.68 91.84 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.637 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.58 -39.12 74.05 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.01 -16.03 60.03 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.629 0.603 . . . . 10.0 112.629 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.34 -20.07 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.181 0.437 . . . . 10.0 112.181 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -110.24 143.83 28.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.933 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.09 -69.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.725 2.283 . . . . 10.0 111.106 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.1 p -135.16 124.47 24.68 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' HB2' ' B' ' 43' ' ' LEU . 0.8 OUTLIER -136.84 95.98 11.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 111.973 0.361 . . . . 10.0 111.973 -178.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 28.6 Cg_endo -63.74 -30.98 69.42 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.687 2.258 . . . . 10.0 112.188 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.11 -49.31 29.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.964 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.436 ' HB2' ' OD2' ' B' ' 40' ' ' ASP . 3.5 mm? -72.98 -21.81 60.79 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.068 0.396 . . . . 10.0 112.068 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.45 -35.3 65.72 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.709 0.29 . . . . 10.0 110.25 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.86 -36.42 82.27 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.0 -34.07 64.04 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.417 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -72.09 -38.22 69.41 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.05 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -66.48 -37.1 84.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.17 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.475 ' HB3' HD21 ' A' ' 9' ' ' LEU . 49.7 m -74.03 -38.5 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.359 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' B' ' 50' ' ' LYS . 68.6 mmtt -75.92 -33.87 59.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.932 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 tp -68.63 -36.51 78.71 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 95.0 p -73.71 -28.19 61.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.407 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.51 -35.23 78.72 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.854 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -66.53 -33.7 76.26 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.469 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 49.5 t30 -70.02 -28.5 65.54 Favored 'General case' 0 C--O 1.228 -0.076 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.306 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.521 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -72.2 -31.49 65.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.143 -0.935 . . . . 10.0 110.591 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -70.91 -56.11 6.95 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.591 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -67.59 -25.27 65.69 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 113.166 0.802 . . . . 10.0 113.166 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 1.4 m-80 -75.54 -50.94 14.12 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.797 0.295 . . . . 10.0 111.797 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.88 73.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.644 0.259 . . . . 10.0 110.547 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -65.84 -42.46 90.49 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.581 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 15.9 t -70.92 -33.21 70.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.657 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.792 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 82.3 m-20 -73.45 -41.23 63.47 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 39.6 p -68.85 -48.66 62.92 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.81 -31.49 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -67.11 -48.27 68.65 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.54 0.57 . . . . 10.0 112.54 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.542 ' O ' HG12 ' B' ' 71' ' ' ILE . 20.4 t -66.85 -44.39 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -59.74 -44.21 93.88 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -71.41 -36.14 71.25 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.3 -44.07 84.51 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.929 0.395 . . . . 10.0 110.97 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.542 HG12 ' O ' ' B' ' 67' ' ' VAL . 8.6 mm -66.06 -43.83 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.453 ' O ' HG13 ' B' ' 76' ' ' ILE . 1.3 t70 -64.74 -31.65 72.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.754 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.78 -30.89 68.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.222 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.74 -40.67 76.04 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 42.8 pt -69.69 -31.45 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 72' ' ' ASP . 66.3 mt -71.2 -33.67 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 10.0 110.027 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -70.59 -25.64 63.16 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.405 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -73.76 -30.55 62.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.172 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -82.76 132.6 35.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.052 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.467 ' HD2' ' HA ' ' B' ' 80' ' ' ARG . 8.7 tpt180 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.13 -0.938 . . . . 10.0 111.272 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.768 0.318 . . . . 10.0 111.216 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.74 146.44 24.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.208 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -102.3 133.78 20.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.255 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.64 155.01 35.33 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.788 2.325 . . . . 10.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -71.87 110.73 6.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.628 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 22.7 p -159.7 117.0 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.355 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.79 169.85 20.49 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.647 -0.787 . . . . 10.0 113.083 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -34.41 77.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.096 0.474 . . . . 10.0 110.48 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.62 HD11 HG12 ' C' ' 65' ' ' VAL . 21.5 tp -71.97 -33.62 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.759 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.89 -39.14 93.07 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.39 -40.09 67.51 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.415 0.524 . . . . 10.0 112.415 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.974 HG11 HG21 ' C' ' 64' ' ' THR . 65.2 t -67.29 -43.14 88.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -63.32 -44.5 94.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.578 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.66 -22.95 62.43 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.392 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -64.88 -42.65 94.62 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.889 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.509 ' HB3' ' HE1' ' C' ' 57' ' ' TYR . 57.9 m-85 -77.59 -28.45 51.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.796 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -64.91 -39.79 94.07 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -76.86 -25.5 53.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.931 0.396 . . . . 10.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.44 -36.39 62.93 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 121.02 -0.61 . . . . 10.0 112.653 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.438 HG22 ' O ' ' C' ' 16' ' ' PHE . 34.2 m -109.37 25.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.66 0.267 . . . . 10.0 111.593 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.36 -45.67 93.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.252 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ASN . . . . . 0.463 ' O ' HG22 ' C' ' 25' ' ' THR . 6.4 t-20 -95.04 -10.66 30.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.203 0.525 . . . . 10.0 110.55 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.415 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.1 tm? -69.26 -38.52 78.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.547 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -65.17 -35.44 81.09 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.463 HG22 ' O ' ' C' ' 22' ' ' ASN . 6.7 t -73.15 -26.7 61.3 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.044 -0.262 . . . . 10.0 111.001 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -76.38 -24.3 54.11 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.273 -0.422 . . . . 10.0 109.87 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 23' ' ' LEU . 40.4 t -68.82 -45.33 81.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.345 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -73.97 -28.02 61.28 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.214 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.22 -42.63 75.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.196 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.07 51.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.478 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 26.3 tp -66.65 -46.71 74.88 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.803 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.11 -30.66 66.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.175 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -59.73 -48.1 83.02 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.677 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -75.76 -34.81 60.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.503 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.4 -33.98 75.83 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.011 0.745 . . . . 10.0 113.011 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.35 20.97 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -127.4 129.88 23.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.366 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -46.73 -72.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.728 2.952 . . . . 10.0 113.077 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 18.0 p -149.5 125.06 10.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.679 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.436 ' OD1' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -137.45 100.98 9.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.516 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 41' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 24.1 Cg_endo -63.69 -30.85 69.82 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.287 1.991 . . . . 10.0 112.27 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.31 -46.61 32.35 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.143 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.436 ' HB2' ' OD1' ' C' ' 40' ' ' ASP . 3.4 mm? -72.67 -22.34 60.93 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 46.9 tp -71.5 -33.45 69.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.86 0.362 . . . . 10.0 110.585 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.68 78.55 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.363 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.25 64.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.999 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -72.11 -40.46 68.12 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.24 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -67.64 -36.5 80.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.252 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -73.34 -39.09 65.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.505 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 63.0 mmtt -74.23 -29.01 61.51 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tp -74.46 -34.5 63.16 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.67 0.272 . . . . 10.0 111.21 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -74.99 -29.53 60.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.508 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.37 -36.52 83.99 Favored 'General case' 0 C--O 1.231 0.085 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -70.07 -34.13 72.81 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.353 -0.84 . . . . 10.0 110.032 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -66.15 -51.74 54.95 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' C' ' 56' ' ' LEU . 2.3 mm? -68.19 -28.81 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 57' ' ' TYR . . . . . 0.509 ' HE1' ' HB3' ' C' ' 16' ' ' PHE . 1.2 t80 -67.37 -48.89 66.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.071 0.462 . . . . 10.0 110.579 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.813 ' HE ' ' HA ' ' D' ' 42' ' ' ALA . 3.9 mmt-85 -65.31 -38.61 90.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.945 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -69.11 -28.06 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.764 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.0 -33.98 68.51 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.916 0.388 . . . . 10.0 110.006 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.48 ' O ' HG13 ' C' ' 65' ' ' VAL . 14.7 mm-40 -67.19 -44.73 78.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.004 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 62' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' C' ' 66' ' ' LYS . 32.4 p -70.96 -26.77 63.31 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -72.19 -45.86 58.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.595 -0.275 . . . . 10.0 111.651 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' THR . . . . . 0.974 HG21 HG11 ' C' ' 12' ' ' VAL . 2.1 m -67.37 -45.92 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.084 0.401 . . . . 10.0 112.084 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.62 HG12 HD11 ' C' ' 9' ' ' LEU . 8.9 m -65.46 -28.85 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 66' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' C' ' 62' ' ' SER . 8.6 tmtt? -82.76 -38.35 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.786 0.291 . . . . 10.0 111.786 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 67' ' ' VAL . . . . . 0.489 ' O ' HG13 ' C' ' 71' ' ' ILE . 72.4 t -70.83 -51.95 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -63.57 -38.39 90.94 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.034 0.753 . . . . 10.0 113.034 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.464 ' HA ' ' HD2' ' C' ' 69' ' ' LYS . 4.7 mmmm -70.62 -34.71 72.4 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.739 -0.385 . . . . 10.0 111.698 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -34.01 77.16 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.892 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 71' ' ' ILE . . . . . 0.489 HG13 ' O ' ' C' ' 67' ' ' VAL . 64.1 mt -69.75 -44.38 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.075 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 72' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 3.2 m-20 -64.77 -27.79 69.13 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.618 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.4 68.97 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.776 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.9 -44.13 61.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.441 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.412 HG13 ' O ' ' C' ' 71' ' ' ILE . 13.8 mt -66.86 -38.35 81.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.009 0.433 . . . . 10.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 76' ' ' ILE . . . . . 0.454 HG13 ' ND2' ' D' ' 63' ' ' ASN . 1.5 tp -66.69 -33.75 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.126 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -75.74 -23.89 56.08 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.288 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -71.24 -31.33 67.42 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -82.3 127.27 33.05 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.168 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' ARG . . . . . 0.46 ' HA ' ' HD2' ' C' ' 80' ' ' ARG . 17.1 mmm180 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.165 -0.921 . . . . 10.0 111.158 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.799 0.333 . . . . 10.0 111.159 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.71 142.47 27.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.036 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -95.34 120.64 63.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.25 138.8 44.13 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.677 2.251 . . . . 10.0 112.278 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -68.38 113.43 5.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.425 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 12.3 p -154.69 112.58 3.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.72 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.01 158.55 33.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.869 -0.681 . . . . 10.0 112.992 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.88 -48.27 69.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.687 0.28 . . . . 10.0 111.223 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -74.43 -22.3 59.2 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.701 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.64 -40.22 92.29 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.13 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.6 -36.48 62.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.175 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.24 -44.28 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.44 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 70.4 m -65.42 -44.22 88.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.373 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.4 65.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.548 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -39.22 78.19 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.48 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.423 ' O ' HG22 ' D' ' 20' ' ' VAL . 37.4 m-85 -76.41 -28.83 56.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.27 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -64.93 -45.31 86.34 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.429 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 5.5 m -78.47 -26.04 45.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.349 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.18 -38.67 95.49 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 121.106 -0.569 . . . . 10.0 113.048 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.423 HG22 ' O ' ' D' ' 16' ' ' PHE . 31.0 m -118.99 32.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.963 0.411 . . . . 10.0 111.247 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.09 -45.08 95.1 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.915 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -82.14 -13.6 56.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.419 . . . . 10.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.465 ' O ' HG23 ' D' ' 27' ' ' VAL . 2.6 tt -70.88 -27.49 63.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -61.38 -47.19 86.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.229 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -72.12 -26.01 61.95 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.658 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -71.81 -30.29 65.35 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.409 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.465 HG23 ' O ' ' D' ' 23' ' ' LEU . 90.0 t -72.66 -44.11 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.546 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 37.4 p -70.53 -27.37 64.11 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.442 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -71.06 -42.11 69.87 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.973 0.416 . . . . 10.0 110.33 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.94 -23.89 58.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.821 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.429 HD21 HG22 ' B' ' 12' ' ' VAL . 51.8 tp -70.78 -38.57 73.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.154 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ASP . . . . . 0.576 ' HA ' ' HD3' ' B' ' 15' ' ' LYS . 0.8 OUTLIER -70.52 -41.83 72.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.381 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -24.67 61.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.439 0.533 . . . . 10.0 112.439 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.66 -53.05 14.84 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.549 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' ALA . . . . . 0.416 ' HB3' ' HG2' ' B' ' 15' ' ' LYS . . . -75.61 -12.68 60.26 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.359 . . -98.35 8.72 44.46 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -136.62 108.3 9.26 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 114.15 -1.386 . . . . 10.0 107.364 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.502 ' O ' HD12 ' B' ' 56' ' ' LEU . 97.5 Cg_exo -48.11 -74.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.155 2.57 . . . . 10.0 114.02 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -99.88 121.83 41.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' D' ' 41' ' ' PRO . 7.9 p-10 -142.1 89.29 8.79 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 115.471 1.656 . . . . 10.0 115.471 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' D' ' 40' ' ' ASP . 17.8 Cg_endo -64.75 -45.28 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.817 1.678 . . . . 10.0 111.966 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.813 ' HA ' ' HE ' ' C' ' 58' ' ' ARG . . . -74.53 -51.05 15.78 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.36 -25.68 68.4 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -30.94 65.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.29 -39.54 64.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.912 0.387 . . . . 10.0 110.589 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.59 -35.87 68.02 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.39 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 47' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 31.1 t80 -65.43 -44.96 85.7 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -68.53 -35.79 77.94 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 60.6 m -76.07 -41.44 50.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -77.83 -28.92 50.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 4.6 tp -72.2 -37.0 69.36 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.868 0.366 . . . . 10.0 110.303 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 83.7 p -73.87 -29.56 62.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.408 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -65.84 -37.09 85.29 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -69.23 -34.39 74.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.337 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -63.94 -49.44 72.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.923 -1.035 . . . . 10.0 111.826 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.0 mm? -68.42 -27.1 65.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.07 0.767 . . . . 10.0 113.07 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.65 -49.22 74.09 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.641 0.258 . . . . 10.0 111.587 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -70.53 -30.83 67.68 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -73.95 -37.0 64.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 10.0 111.114 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.68 -29.62 63.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.77 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -70.03 -39.33 75.84 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.175 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 32.7 p -71.59 -27.61 63.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.029 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.454 ' ND2' HG13 ' C' ' 76' ' ' ILE . 94.8 m-20 -75.83 -37.44 59.04 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 7.9 p -69.14 -42.09 76.45 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 12.9 p -77.06 -22.08 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 29.9 tptp -80.6 -40.88 24.93 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.985 0.365 . . . . 10.0 111.985 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 8.9 p -76.04 -33.34 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.79 -36.06 62.49 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.8 0.333 . . . . 10.0 111.556 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' D' ' 69' ' ' LYS . 64.1 mmtt -73.16 -35.0 66.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 10.0 112.084 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.39 -47.92 77.37 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.907 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 71' ' ' ILE . . . . . 0.449 ' O ' HG13 ' D' ' 75' ' ' ILE . 15.6 tt -67.69 -37.45 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.869 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 72' ' ' ASP . . . . . 0.457 ' O ' HG13 ' D' ' 76' ' ' ILE . 5.0 t70 -69.0 -34.85 75.95 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.448 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.78 -32.87 74.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.391 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.69 -37.6 79.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.316 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 75' ' ' ILE . . . . . 0.449 HG13 ' O ' ' D' ' 71' ' ' ILE . 17.1 mt -64.86 -40.04 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.245 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 76' ' ' ILE . . . . . 0.457 HG13 ' O ' ' D' ' 72' ' ' ASP . 21.7 mt -67.65 -31.52 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -69.72 -28.55 65.92 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.304 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -74.95 -30.53 61.24 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.45 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -80.12 123.87 28.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.302 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 80' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' D' ' 80' ' ' ARG . 7.3 tpt180 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.154 -0.927 . . . . 10.0 111.275 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.733 0.302 . . . . 10.0 111.05 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.89 102.72 11.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.837 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.1 m -127.53 119.38 21.65 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.741 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.0 154.32 75.01 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.766 2.311 . . . . 10.0 112.067 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.91 112.05 11.93 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.588 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -154.74 152.11 29.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.198 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.03 -175.22 36.94 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.813 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.6 t80 -67.89 -40.48 83.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.429 -0.385 . . . . 10.0 110.599 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.828 HD11 HG12 ' A' ' 65' ' ' VAL . 16.1 tp -71.15 -33.86 70.44 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.453 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -71.93 -27.85 63.08 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.429 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.84 -40.59 68.94 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.87 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 8' ' ' TYR . 41.2 t -69.06 -36.15 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.016 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.3 t -66.45 -46.42 76.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.545 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.51 61.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.245 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -62.32 -46.84 86.92 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.033 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.581 ' O ' HG22 ' A' ' 20' ' ' VAL . 43.8 m-85 -72.23 -32.51 66.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.134 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -65.57 -51.32 60.65 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -69.89 -23.34 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.245 0.545 . . . . 10.0 109.748 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' C' ' 35' ' ' ALA . . . -71.59 -43.31 52.88 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.431 -0.804 . . . . 10.0 112.527 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 34.3 m -106.04 31.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.767 0.318 . . . . 10.0 111.429 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.02 -50.53 73.37 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.262 -0.427 . . . . 10.0 111.189 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -81.68 -15.79 53.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.194 0.521 . . . . 10.0 110.501 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.652 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.0 tm? -71.26 -39.99 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.314 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.12 -39.28 94.24 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.136 -0.484 . . . . 10.0 112.104 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 14.0 t -71.83 -25.8 62.12 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.576 -0.283 . . . . 10.0 111.19 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -73.58 -28.05 61.63 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.965 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 23' ' ' LEU . 39.6 t -69.93 -45.5 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-O 120.974 0.416 . . . . 10.0 110.04 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.6 p -73.95 -29.67 62.13 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.627 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 25' ' ' THR . 2.0 tm-20 -67.84 -41.88 82.26 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.032 0.444 . . . . 10.0 110.152 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.14 -23.82 54.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.888 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 tp -70.84 -40.55 72.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.412 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -70.27 -31.37 68.7 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.648 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 81.5 mttt -68.38 -44.32 75.38 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.967 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -25.82 68.2 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.88 -18.36 63.41 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.3 6.3 10.7 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.906 0.336 . . . . 10.0 111.906 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 45.2 mmtm -113.41 119.81 41.13 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-N 116.695 -0.23 . . . . 10.0 111.567 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 17.0 Cg_exo -68.84 -66.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.935 2.424 . . . . 10.0 111.14 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 p -120.86 125.2 46.91 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.899 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -136.89 97.45 11.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 112.753 0.649 . . . . 10.0 112.753 -178.801 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 31.3 Cg_endo -65.65 -43.63 9.73 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.578 2.185 . . . . 10.0 112.165 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.24 -39.79 53.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.155 -0.475 . . . . 10.0 112.055 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.899 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.2 mm? -71.74 -20.37 61.9 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -71.1 -41.04 71.13 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.014 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.12 -30.88 68.18 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.476 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.8 -45.0 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.986 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -71.8 -36.25 70.23 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 111.821 0.304 . . . . 10.0 111.821 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -40.84 97.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.5 t -75.04 -41.39 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.401 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -69.09 -34.78 75.65 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.588 0.588 . . . . 10.0 112.588 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.03 -35.59 61.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.825 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.8 p -72.21 -32.33 66.66 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.913 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.48 -36.15 78.53 Favored 'General case' 0 C--N 1.333 -0.118 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -64.69 -31.01 72.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.341 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -66.31 -43.51 86.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.185 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 56' ' ' LEU . 3.1 mm? -72.05 -28.77 63.56 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.396 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.01 -50.98 66.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.806 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -68.36 -30.64 69.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.384 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.87 -32.02 65.12 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.351 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.92 -37.63 70.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.807 0.336 . . . . 10.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -72.95 -39.7 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.394 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.4 p -71.24 -30.53 66.44 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -75.02 -35.51 61.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.087 0.403 . . . . 10.0 112.087 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 p -70.12 -38.67 75.65 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.828 HG12 HD11 ' A' ' 9' ' ' LEU . 28.6 m -75.8 -22.15 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.732 0.301 . . . . 10.0 111.038 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.649 ' HE2' ' HA ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -75.48 -48.3 23.27 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -179.385 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.61 -36.36 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -67.54 -34.25 76.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.455 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 16.2 mmmt -74.3 -34.81 63.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.616 0.599 . . . . 10.0 112.616 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -60.74 -49.12 78.79 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 123.187 0.305 . . . . 10.0 110.85 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.725 HD11 HH11 ' C' ' 58' ' ' ARG . 0.1 OUTLIER -61.39 -36.95 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.614 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.752 ' HA ' HD12 ' A' ' 75' ' ' ILE . 6.2 t70 -67.64 -25.74 65.88 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.07 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.052 0.453 . . . . 10.0 109.869 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.7 64.27 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.545 0.688 . . . . 10.0 109.439 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 72' ' ' ASP . 1.6 mt -57.97 -55.83 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 114.331 -1.304 . . . . 10.0 111.915 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.688 HG13 ' O ' ' A' ' 72' ' ' ASP 0.254 2.0 pp -76.38 -14.67 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 114.339 1.237 . . . . 10.0 114.339 -178.741 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -36.27 75.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.812 0.671 . . . . 10.0 112.812 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -92.99 -17.65 23.65 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.089 0.471 . . . . 10.0 110.989 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.756 ' HE1' ' CD2' ' D' ' 47' ' ' TYR . 0.6 OUTLIER -76.94 154.48 33.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.981 179.538 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.798 ' HD3' HD21 ' D' ' 51' ' ' LEU . 2.9 ttt180 . . . . . 0 N--CA 1.443 -0.808 0 CA-C-O 117.592 -1.194 . . . . 10.0 109.075 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.7 0.286 . . . . 10.0 111.061 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.66 104.33 13.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.725 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.7 m -127.2 121.77 22.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.956 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.93 147.58 85.04 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.72 2.28 . . . . 10.0 111.77 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.4 111.57 9.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.453 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 24.2 p -155.04 150.45 27.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' B' ' 10' ' ' ASP . . . -160.2 -174.09 29.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.304 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.421 ' O ' HG23 ' B' ' 12' ' ' VAL . 22.7 t80 -67.21 -44.55 79.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.593 0.235 . . . . 10.0 111.259 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -31.05 67.84 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.951 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.449 ' HB2' ' H ' ' B' ' 7' ' ' GLY . 16.9 m-20 -72.24 -28.56 63.23 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.618 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.55 -43.76 65.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.796 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.921 HG11 HG21 ' B' ' 64' ' ' THR . 12.0 t -68.75 -32.11 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.765 0.317 . . . . 10.0 111.192 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.0 t -66.93 -45.51 77.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.325 -0.398 . . . . 10.0 109.989 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.19 -22.11 60.53 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.808 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -62.39 -44.79 95.61 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.918 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.544 ' O ' HG22 ' B' ' 20' ' ' VAL . 33.7 m-85 -75.8 -32.23 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.025 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.0 -51.73 55.75 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 10.0 m -68.36 -23.27 64.66 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.596 -0.891 . . . . 10.0 108.596 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.21 -51.17 23.85 Favored Glycine 0 N--CA 1.438 -1.178 0 CA-C-N 114.789 -1.096 . . . . 10.0 112.408 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.641 ' HB ' ' HB3' ' B' ' 23' ' ' LEU . 35.7 m -97.17 31.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 10.0 111.783 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.78 -49.2 78.46 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.032 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -83.84 -15.97 46.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.171 0.51 . . . . 10.0 110.478 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.641 ' HB3' ' HB ' ' B' ' 20' ' ' VAL . 1.8 tm? -71.64 -40.05 69.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.621 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -60.72 -40.54 92.72 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.944 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' B' ' 29' ' ' GLU . 15.4 t -73.19 -25.75 60.9 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.325 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -73.26 -28.05 61.91 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.209 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 23' ' ' LEU . 44.7 t -72.18 -44.97 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.882 0.372 . . . . 10.0 110.168 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.9 p -72.45 -28.75 63.13 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.103 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 25' ' ' THR . 2.0 tm-20 -68.87 -40.84 79.06 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.04 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.35 -24.14 54.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.859 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 38.9 tp -72.28 -40.63 67.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.526 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -70.14 -31.29 68.73 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.53 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 78.5 mttt -69.32 -38.96 78.46 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.765 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -26.22 66.79 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.18 -0.464 . . . . 10.0 112.076 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.42 -12.27 60.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.405 -0.362 . . . . 10.0 111.381 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.32 6.2 11.18 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.59 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 44.8 mmtm -118.67 121.06 31.11 Favored Pre-proline 0 C--N 1.332 -0.184 0 N-CA-C 111.721 0.267 . . . . 10.0 111.721 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 17.0 Cg_exo -69.49 -53.63 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.901 2.401 . . . . 10.0 110.992 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 36.5 p -135.11 124.58 24.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.363 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.787 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -137.24 96.96 10.93 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -179.164 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 30.9 Cg_endo -65.32 -41.33 16.26 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.606 2.204 . . . . 10.0 112.229 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.74 -41.49 53.15 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.057 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.787 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.7 mm? -71.8 -20.59 61.83 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.877 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' B' ' 40' ' ' ASP . 1.5 tt -72.63 -40.35 66.5 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.08 -31.27 65.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.445 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.44 62.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.664 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -70.83 -33.74 70.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.069 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -40.41 95.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.809 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 42.3 t -76.01 -38.91 56.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -70.71 -39.42 73.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.0 tp -72.29 -32.41 66.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.03 0.443 . . . . 10.0 110.304 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 59.7 p -74.43 -29.23 61.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.301 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.679 ' HA ' HD23 ' B' ' 56' ' ' LEU . 51.3 mt-10 -72.3 -35.02 68.57 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 177.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.14 -30.01 70.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.584 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.65 -45.19 83.9 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.307 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' B' ' 53' ' ' GLU . 0.6 OUTLIER -69.72 -28.83 66.15 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.874 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.3 -52.65 61.08 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.59 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -25.64 64.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.012 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.488 ' HB3' HD13 ' A' ' 76' ' ' ILE . 1.2 m-80 -77.34 -30.68 54.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.998 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.67 -52.2 27.82 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -59.01 -43.87 91.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.292 -0.867 . . . . 10.0 111.858 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 88.3 p -63.97 -43.88 94.44 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.521 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 13.6 m-80 -71.08 -33.39 70.17 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.295 0.48 . . . . 10.0 112.295 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.921 HG21 HG11 ' B' ' 12' ' ' VAL . 16.9 m -65.91 -50.33 64.81 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.835 0.35 . . . . 10.0 111.281 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 m -73.15 -14.08 16.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' B' ' 66' ' ' LYS . 18.7 tptp -75.21 -51.28 13.71 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.661 ' HB ' ' HD2' ' A' ' 80' ' ' ARG 0.264 96.6 t -81.63 -28.15 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 113.433 0.901 . . . . 10.0 113.433 -179.307 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -70.02 -36.86 75.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.63 0.252 . . . . 10.0 110.655 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.848 ' HE2' ' HA ' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -73.03 -35.2 66.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.536 179.258 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -64.71 -48.73 73.58 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.964 0.411 . . . . 10.0 111.037 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.548 ' O ' HG13 ' B' ' 75' ' ' ILE . 10.7 tp -65.73 -30.56 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.353 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.664 ' HA ' HD12 ' B' ' 75' ' ' ILE . 32.9 t70 -72.5 -29.5 63.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.636 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.02 95.34 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.0 -32.24 73.34 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.873 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' B' ' 72' ' ' ASP . 59.2 mt -60.7 -49.58 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.099 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.413 HG13 ' H ' ' B' ' 76' ' ' ILE . 3.5 mt -64.43 -27.03 41.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.869 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.63 -35.99 79.96 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -98.93 0.72 44.63 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.947 0.403 . . . . 10.0 111.633 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -113.65 144.08 43.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.548 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.149 -0.929 . . . . 10.0 111.526 179.706 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.8 0.334 . . . . 10.0 110.978 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.64 101.82 11.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.737 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 21.4 m -132.04 121.13 17.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.842 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.58 162.09 43.29 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.691 2.26 . . . . 10.0 111.758 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.76 110.49 9.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.731 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -144.09 152.81 41.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.003 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.93 -177.64 43.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.657 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.87 -39.21 87.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.836 0.351 . . . . 10.0 110.671 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.85 -32.61 71.08 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.324 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.02 -29.47 65.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.015 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.19 -37.52 69.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.317 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 29.3 t -70.31 -39.29 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.422 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -65.18 -45.42 84.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.514 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.21 -22.62 61.99 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.166 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -61.78 -45.02 95.69 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.632 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.587 ' O ' HG22 ' C' ' 20' ' ' VAL . 59.5 m-85 -77.1 -32.82 56.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.71 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -64.2 -44.16 92.83 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -76.18 -26.3 56.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.893 0.377 . . . . 10.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.82 -40.03 64.7 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.047 -0.596 . . . . 10.0 112.554 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.587 HG22 ' O ' ' C' ' 16' ' ' PHE . 33.8 m -105.22 30.65 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-O 120.791 0.329 . . . . 10.0 111.557 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.84 -54.34 46.28 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.026 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ASN . . . . . 0.497 ' O ' HG22 ' C' ' 25' ' ' THR . 7.5 t-20 -82.4 -15.62 52.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.275 0.559 . . . . 10.0 110.402 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.514 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.2 tm? -70.72 -40.44 72.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.228 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.31 -36.05 82.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.814 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.497 HG22 ' O ' ' C' ' 22' ' ' ASN . 5.5 t -71.48 -25.96 62.5 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.119 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -75.39 -26.19 58.25 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.617 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.437 HG23 ' O ' ' C' ' 23' ' ' LEU . 76.1 t -68.87 -44.66 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.111 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.851 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 36.9 p -77.28 -27.25 53.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.564 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' C' ' 25' ' ' THR . 1.3 tm-20 -67.85 -43.4 79.59 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.935 0.398 . . . . 10.0 110.441 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.3 -24.06 50.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.434 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 22.4 tp -70.64 -40.59 72.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.126 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.83 -30.7 67.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.827 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' C' ' 37' ' ' LYS . 81.4 mttt -68.36 -48.72 64.04 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.789 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -25.35 67.2 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.028 -0.533 . . . . 10.0 112.258 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HA3' ' A' ' 19' ' ' GLY . . . -57.93 -31.32 66.71 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.24 24.82 5.89 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 113.416 0.895 . . . . 10.0 113.416 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' C' ' 33' ' ' LYS . 35.9 mmtm -114.97 111.95 44.93 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.115 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' C' ' 37' ' ' LYS . 18.9 Cg_endo -60.05 -68.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.778 2.319 . . . . 10.0 112.659 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 37.1 p -128.14 124.52 37.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.331 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.4 OUTLIER -137.19 98.86 10.09 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.882 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 41' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 29.6 Cg_endo -65.34 -38.67 25.53 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.628 2.219 . . . . 10.0 112.306 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.03 -41.93 49.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.924 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.2 mm? -72.46 -20.64 61.36 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' C' ' 40' ' ' ASP . 0.6 OUTLIER -68.82 -39.4 80.04 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.678 0.275 . . . . 10.0 110.479 179.224 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.03 -30.64 62.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.458 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.24 -42.55 65.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.056 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -71.41 -34.92 70.77 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.183 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -66.06 -39.93 90.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.86 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.3 t -74.64 -39.15 62.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.55 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' C' ' 50' ' ' LYS . 23.5 mmtm -69.84 -35.85 75.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 tp -75.32 -34.39 61.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.257 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 91.3 p -75.32 -29.9 60.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.036 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.76 -35.87 79.49 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 107.893 -1.151 . . . . 10.0 107.893 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -66.37 -26.66 67.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 114.322 -1.308 . . . . 10.0 108.949 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -65.1 -50.13 67.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.922 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.92 -26.62 60.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -59.79 -54.11 50.06 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.725 HH11 HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -69.68 -33.58 72.75 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 111.777 0.288 . . . . 10.0 111.777 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -67.39 -31.78 72.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.04 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.63 -33.15 58.37 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.887 0.375 . . . . 10.0 110.689 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.651 ' O ' HG23 ' C' ' 65' ' ' VAL . 46.8 tt0 -71.11 -50.0 38.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.994 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 95.3 p -64.23 -28.31 69.65 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.575 0.226 . . . . 10.0 111.154 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -69.24 -44.19 72.48 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.535 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 20.9 p -66.03 -37.15 85.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 10.0 112.011 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.651 HG23 ' O ' ' C' ' 61' ' ' GLN . 3.1 t -65.97 -42.64 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.915 0.388 . . . . 10.0 110.088 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 66' ' ' LYS . . . . . 0.636 ' HA ' ' HE2' ' C' ' 66' ' ' LYS . 0.3 OUTLIER -67.17 -47.69 70.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.974 0.731 . . . . 10.0 112.974 -178.613 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.44 -48.9 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 113.672 0.99 . . . . 10.0 113.672 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -65.47 -32.37 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 25.9 mmmt -73.36 -34.08 65.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.519 0.562 . . . . 10.0 112.519 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.67 -48.84 78.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.754 0.312 . . . . 10.0 111.274 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' ILE . . . . . 0.418 ' O ' HG13 ' C' ' 75' ' ' ILE . 13.9 tt -68.0 -33.56 61.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.578 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' ASP . . . . . 0.441 ' O ' HG12 ' C' ' 76' ' ' ILE . 29.3 t70 -67.2 -32.14 73.01 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.013 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.5 96.95 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.294 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.23 68.67 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.676 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.418 HG13 ' O ' ' C' ' 71' ' ' ILE . 84.1 mt -61.83 -49.46 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.341 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 76' ' ' ILE . . . . . 0.712 ' HA ' ' HB3' ' C' ' 79' ' ' PHE . 31.9 mm -70.49 -21.8 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.613 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -65.18 -39.43 92.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.013 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -96.22 -3.35 44.37 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.89 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 79' ' ' PHE . . . . . 0.712 ' HB3' ' HA ' ' C' ' 76' ' ' ILE . 57.2 t80 -89.48 150.95 22.25 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.1 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 80' ' ' ARG . . . . . 0.456 ' HD2' HG11 ' D' ' 67' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.32 -0.848 . . . . 10.0 111.525 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.705 0.288 . . . . 10.0 111.042 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.03 102.05 12.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.812 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 21.8 m -127.14 121.3 22.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.889 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.61 151.24 83.2 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.676 2.251 . . . . 10.0 111.84 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.9 111.34 8.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.305 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 26.3 p -155.89 152.2 28.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.993 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.94 -172.79 35.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.947 -0.644 . . . . 10.0 112.225 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' TYR . . . . . 0.415 ' O ' HG23 ' D' ' 12' ' ' VAL . 17.0 t80 -67.01 -40.52 87.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.706 0.288 . . . . 10.0 111.193 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.18 -33.94 72.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.978 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -71.89 -28.32 63.43 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.134 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -71.95 -39.95 69.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.066 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' D' ' 8' ' ' TYR . 40.4 t -68.49 -39.33 80.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 37.3 t -64.27 -46.07 85.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.437 . . . . 10.0 110.73 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.81 61.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.493 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -64.56 -39.63 94.09 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.773 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.531 ' O ' HG22 ' D' ' 20' ' ' VAL . 47.4 m-85 -77.28 -37.86 51.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.691 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -64.92 -44.62 88.91 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -79.12 -28.87 42.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.349 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.33 -41.78 96.43 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.027 -0.606 . . . . 10.0 112.827 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.531 HG22 ' O ' ' D' ' 16' ' ' PHE . 34.3 m -112.72 33.72 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.019 0.438 . . . . 10.0 111.391 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.64 -43.04 89.6 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.379 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -79.45 -18.44 52.12 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.73 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.474 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.3 OUTLIER -71.22 -34.58 70.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.319 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -65.31 -41.24 94.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.167 -0.469 . . . . 10.0 112.027 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' D' ' 29' ' ' GLU . 15.4 t -72.42 -25.56 61.52 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.389 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -71.46 -30.65 66.25 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.16 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.474 HG23 ' O ' ' D' ' 23' ' ' LEU . 47.4 t -72.76 -41.25 61.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.443 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 35.7 p -74.09 -26.63 60.47 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.964 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' D' ' 25' ' ' THR . 2.1 tm-20 -72.29 -39.8 68.04 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.11 -23.9 59.38 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.262 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.23 -43.66 86.0 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.59 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.91 -31.82 68.57 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.375 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -69.27 -44.09 72.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.087 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -25.77 66.87 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.762 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.93 -40.12 66.46 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 113.052 0.76 . . . . 10.0 113.052 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.24 25.97 7.58 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.378 0.881 . . . . 10.0 113.378 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.15 103.2 52.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.155 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.06 -73.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.829 2.353 . . . . 10.0 112.734 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -85.04 141.04 30.56 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.745 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 27.5 m-20 -135.26 72.71 65.61 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 115.722 1.749 . . . . 10.0 115.722 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.38 -51.37 0.34 Allowed 'Trans proline' 0 CA--C 1.518 -0.292 0 C-N-CA 121.428 1.419 . . . . 10.0 111.334 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.32 -41.47 22.02 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.426 -1.261 . . . . 10.0 110.98 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.23 -19.62 65.88 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 115.183 -0.917 . . . . 10.0 112.928 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.745 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.7 OUTLIER -72.42 -49.57 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.48 -33.34 63.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.74 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.06 -53.6 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.16 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 47' ' ' TYR . . . . . 0.756 ' CD2' ' HE1' ' A' ' 79' ' ' PHE . 5.6 t80 -72.43 -43.76 63.37 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.762 1.023 . . . . 10.0 113.762 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 48' ' ' GLN . . . . . 0.61 ' HB2' HD13 ' D' ' 44' ' ' LEU . 0.9 OUTLIER -60.34 -44.31 95.65 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.852 0.316 . . . . 10.0 111.852 -179.292 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 38.2 t -67.74 -48.78 65.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 50' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 27.8 mmtm -68.15 -28.91 67.71 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.798 HD21 ' HD3' ' A' ' 80' ' ' ARG . 5.9 tt -75.11 -43.21 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.322 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 79.8 p -69.36 -29.67 67.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.931 0.396 . . . . 10.0 110.157 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.84 -35.87 77.47 Favored 'General case' 0 CA--C 1.523 -0.063 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 54' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' D' ' 51' ' ' LEU . 50.8 t80 -60.26 -33.64 72.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.21 -0.904 . . . . 10.0 109.465 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.88 -50.95 68.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.056 -0.975 . . . . 10.0 110.956 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.0 mm? -73.83 -26.44 60.6 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -59.92 -49.99 75.51 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.714 0.293 . . . . 10.0 111.4 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 58' ' ' ARG . . . . . 0.464 ' CZ ' HG12 ' B' ' 75' ' ' ILE . 0.1 OUTLIER -71.07 -32.85 69.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.119 -179.479 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 59' ' ' ASN . . . . . 0.419 ' OD1' HD11 ' B' ' 71' ' ' ILE . 94.5 m-20 -69.55 -27.88 65.52 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.656 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.24 -41.78 66.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.642 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 61' ' ' GLN . . . . . 0.608 ' O ' HG23 ' D' ' 65' ' ' VAL . 38.6 tt0 -73.26 -37.17 66.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.476 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 91.6 p -69.47 -31.36 69.6 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.1 0.407 . . . . 10.0 112.1 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -74.21 -37.17 63.95 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 19.1 p -69.09 -37.85 78.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 65' ' ' VAL . . . . . 0.608 HG23 ' O ' ' D' ' 61' ' ' GLN . 38.7 t -70.75 -33.01 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.871 0.367 . . . . 10.0 110.424 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -71.27 -48.29 51.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 10.0 112.41 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.456 HG11 ' HD2' ' C' ' 80' ' ' ARG . 62.8 t -68.05 -46.03 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.82 -31.63 72.69 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' D' ' 65' ' ' VAL . 2.0 tptp -72.92 -35.39 67.04 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -64.93 -43.72 91.86 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.794 0.331 . . . . 10.0 110.907 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 71' ' ' ILE . . . . . 0.442 ' O ' HG13 ' D' ' 75' ' ' ILE . 83.0 mt -66.13 -42.49 91.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.919 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 72' ' ' ASP . . . . . 0.519 ' O ' HG13 ' D' ' 76' ' ' ILE . 32.3 t70 -62.95 -33.81 76.16 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.78 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.04 96.16 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.877 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.0 -32.03 70.01 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.017 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 75' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' D' ' 72' ' ' ASP . 96.3 mt -62.74 -47.79 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.311 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 76' ' ' ILE . . . . . 0.519 HG13 ' O ' ' D' ' 72' ' ' ASP . 15.4 mt -67.04 -26.99 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.406 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.66 -39.57 94.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.788 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -95.85 -2.11 48.1 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.811 0.339 . . . . 10.0 111.38 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 79' ' ' PHE . . . . . 0.423 ' HB3' ' HA ' ' D' ' 76' ' ' ILE . 25.1 t80 -99.79 142.47 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.214 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.077 -0.963 . . . . 10.0 111.271 179.385 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.698 0.285 . . . . 10.0 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.05 134.32 33.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.206 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' D' ' 36' ' ' ALA . 21.2 m -101.1 117.23 62.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.762 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.67 151.21 51.83 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.626 2.218 . . . . 10.0 111.89 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' NE1' HD23 ' B' ' 23' ' ' LEU . 89.1 t90 -69.92 109.73 4.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.681 -0.489 . . . . 10.0 109.681 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -158.68 129.2 6.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.794 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.93 177.9 16.51 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.007 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -30.88 71.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.716 0.293 . . . . 10.0 110.569 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.6 pt? -72.93 -29.54 63.2 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.116 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -72.56 -30.26 64.27 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.151 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -70.06 -36.62 75.1 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.974 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 54.5 t -74.74 -30.61 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.902 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.466 ' HA ' HE21 ' A' ' 61' ' ' GLN . 73.1 m -73.62 -29.73 62.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 10.0 110.237 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.79 -40.16 55.67 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.665 . . . . 10.0 112.448 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' C' ' 35' ' ' ALA . 0.0 OUTLIER -64.69 -37.5 87.8 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 -179.663 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' O ' HG22 ' A' ' 20' ' ' VAL . 9.5 m-85 -76.58 -29.26 56.54 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.931 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -65.77 -52.54 50.09 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 113.01 0.745 . . . . 10.0 113.01 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -73.22 -22.87 60.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.427 0.632 . . . . 10.0 109.504 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.29 -52.66 41.98 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 114.991 -1.004 . . . . 10.0 113.75 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 16' ' ' PHE . 15.5 m -105.6 31.43 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.927 0.394 . . . . 10.0 110.999 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.31 -55.97 17.68 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.601 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -80.41 -11.75 59.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.276 0.56 . . . . 10.0 110.616 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 tm? -68.53 -33.38 74.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.516 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 64.9 mt-30 -59.05 -46.83 87.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.99 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -70.06 -26.47 64.03 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.537 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -70.21 -30.35 67.42 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.021 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 23' ' ' LEU . 47.8 t -68.41 -46.53 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-O 120.864 0.364 . . . . 10.0 110.231 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.4 p -71.01 -26.73 63.25 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.825 -0.625 . . . . 10.0 112.067 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' HD2' ' A' ' 33' ' ' LYS . 9.2 mm-40 -73.82 -43.97 57.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.58 -0.282 . . . . 10.0 111.227 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.28 -26.02 62.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.774 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.2 tp -73.08 -36.57 66.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.203 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -70.6 -37.95 73.95 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.074 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -70.16 -30.9 68.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.48 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.86 -25.92 48.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.359 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.14 73.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.855 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.29 -9.44 45.06 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 10.5 mmtp -108.36 128.38 25.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.261 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 37.2 Cg_exo -62.48 -72.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.773 2.315 . . . . 10.0 112.08 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 m -133.51 123.99 26.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 10.0 110.798 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -137.73 118.0 10.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.084 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.2 -39.25 31.6 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.604 2.202 . . . . 10.0 112.237 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.74 -40.81 54.83 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.98 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HB2' ' CB ' ' A' ' 40' ' ' ASP . 3.9 mm? -71.68 -25.48 62.12 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 tp -73.63 -37.21 65.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.785 0.326 . . . . 10.0 110.247 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.14 -29.18 61.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.62 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -44.08 71.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.596 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -72.03 -33.6 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.811 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.25 -47.77 78.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.335 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.0 p -69.15 -39.39 78.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.309 -0.405 . . . . 10.0 112.014 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 30.3 mmtm -69.81 -34.11 73.24 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.192 0.442 . . . . 10.0 112.192 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.5 tp -75.1 -30.07 60.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.927 0.394 . . . . 10.0 110.216 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.1 m -74.57 -30.0 61.56 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.647 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -69.39 -36.57 76.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.666 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.38 -32.75 73.05 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.391 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.3 -39.53 89.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.105 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.89 -28.31 61.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.802 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.486 ' HE1' ' HB3' ' A' ' 16' ' ' PHE . 4.2 t80 -67.86 -49.44 62.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.86 0.362 . . . . 10.0 110.339 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 58' ' ' ARG . 1.1 mmp_? -71.63 -35.81 70.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.41 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -71.65 -39.59 70.23 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.586 0.588 . . . . 10.0 112.586 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.85 -31.19 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.596 0.236 . . . . 10.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.466 HE21 ' HA ' ' A' ' 13' ' ' SER . 41.0 tt0 -75.17 -38.33 60.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.035 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.5 p -71.25 -28.27 64.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.832 0.349 . . . . 10.0 110.921 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -73.84 -36.59 64.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.512 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p -69.64 -39.27 77.21 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.576 0.584 . . . . 10.0 112.576 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.22 -29.73 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 10.0 110.309 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -48.24 36.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.755 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.647 ' O ' HG13 ' A' ' 71' ' ' ILE . 45.0 t -70.12 -48.66 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 66.0 t80 -54.84 -42.77 72.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 69' ' ' LYS . 24.6 mmtm -72.11 -34.49 68.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.55 -30.82 71.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.099 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.647 HG13 ' O ' ' A' ' 67' ' ' VAL . 4.4 mt -72.15 -47.48 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -56.81 -39.15 73.63 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.038 -0.983 . . . . 10.0 111.721 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.05 65.66 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.972 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.0 67.01 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.55 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 71' ' ' ILE . 2.9 mt -66.83 -36.73 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.216 0.531 . . . . 10.0 109.945 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' B' ' 56' ' ' LEU . 11.0 mt -60.95 -43.68 96.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.322 -0.853 . . . . 10.0 110.297 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.7 -31.06 66.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.475 -0.784 . . . . 10.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.55 -13.17 60.98 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.187 0.518 . . . . 10.0 110.184 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.47 ' CZ ' HD23 ' D' ' 51' ' ' LEU . 4.8 t80 -81.22 105.03 12.1 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.433 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.546 ' O ' HG22 ' B' ' 67' ' ' VAL . 7.1 tpt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.083 -0.96 . . . . 10.0 111.374 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.772 0.32 . . . . 10.0 111.075 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.24 137.97 33.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.054 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.8 m -106.85 113.53 62.62 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.4 149.96 63.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.711 2.274 . . . . 10.0 112.049 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -71.19 109.99 5.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.486 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -157.41 114.39 3.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.665 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.31 -177.68 24.22 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.749 -0.739 . . . . 10.0 111.878 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.424 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.3 OUTLIER -66.72 -34.21 77.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.675 0.274 . . . . 10.0 111.008 179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.523 ' H ' HD23 ' B' ' 9' ' ' LEU . 1.2 pt? -72.2 -27.68 62.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.173 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.48 -32.65 66.4 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.179 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -70.99 -35.7 72.19 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.193 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.571 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 57.0 t -73.13 -32.87 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.868 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -73.63 -28.15 61.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.025 0.441 . . . . 10.0 109.948 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.17 -39.81 53.99 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.642 -0.708 . . . . 10.0 112.129 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.807 ' HZ1' HD12 ' D' ' 34' ' ' LEU . 7.0 ptmt -66.06 -38.95 89.61 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.902 0.382 . . . . 10.0 111.753 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.508 ' HB3' ' CE1' ' B' ' 57' ' ' TYR . 13.9 m-85 -74.41 -27.0 60.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.207 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.78 -53.39 57.92 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -73.88 -21.72 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.264 -1.013 . . . . 10.0 108.264 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.68 -52.13 53.8 Favored Glycine 0 CA--C 1.498 -1.018 0 CA-C-N 114.131 -1.395 . . . . 10.0 115.045 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.921 HG12 HD21 ' B' ' 23' ' ' LEU . 17.7 m -117.85 28.84 2.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.165 0.507 . . . . 10.0 110.593 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.06 -53.51 52.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.29 -0.868 . . . . 10.0 112.165 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -78.18 -26.29 47.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.569 0.951 . . . . 10.0 113.569 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.921 HD21 HG12 ' B' ' 20' ' ' VAL 0.259 4.1 pp -71.03 -20.49 62.38 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 48.2 mt-30 -56.96 -49.24 76.29 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.035 0.445 . . . . 10.0 110.365 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.7 t -72.06 -26.23 62.1 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.535 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -69.51 -27.36 65.12 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.745 178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 23' ' ' LEU . 95.4 t -70.14 -46.62 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.0 p -70.91 -25.74 62.9 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.616 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.35 -43.94 54.45 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.113 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.47 -28.11 63.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 61.1 tp -72.95 -36.26 67.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.643 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.26 -43.12 82.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -71.79 -23.96 61.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.922 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -77.16 -30.97 55.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.961 0.41 . . . . 10.0 110.022 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.81 -22.59 56.17 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.993 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.95 -21.08 25.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.079 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -101.39 138.98 20.06 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.872 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -64.29 -66.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.562 2.175 . . . . 10.0 110.977 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -143.34 123.87 14.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.883 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 0.4 OUTLIER -137.03 112.9 9.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.301 -179.665 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.97 -31.63 66.28 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.531 2.154 . . . . 10.0 111.98 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.66 -42.13 52.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.188 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.5 mm? -72.27 -24.48 61.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.785 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 tp -72.72 -38.88 67.33 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 120.712 0.291 . . . . 10.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.58 -28.76 62.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.265 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.91 -44.77 69.0 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.976 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -71.46 -33.38 69.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.525 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.53 -49.65 70.44 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.358 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 77.7 p -67.64 -38.99 84.63 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -71.32 -38.0 71.72 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.34 -33.69 71.77 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.292 0.567 . . . . 10.0 109.803 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' B' ' 55' ' ' ASN . 67.6 m -73.17 -28.07 62.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.387 178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' B' ' 49' ' ' SER . 36.1 mt-10 -70.15 -36.45 74.75 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.11 -0.496 . . . . 10.0 109.925 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -67.7 -28.76 67.94 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' B' ' 52' ' ' SER . 28.5 t-20 -71.86 -28.75 63.75 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.737 -1.119 . . . . 10.0 109.159 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 76' ' ' ILE . 2.9 tm? -70.92 -34.73 71.81 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.738 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' B' ' 16' ' ' PHE . 19.5 t80 -69.16 -51.43 38.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.82 -0.627 . . . . 10.0 112.188 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -72.24 -29.76 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.506 0.928 . . . . 10.0 113.506 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 36.2 m-20 -78.25 -45.92 21.65 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.48 73.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.595 0.236 . . . . 10.0 111.012 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -70.04 -41.27 74.43 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 90.1 p -69.18 -23.98 64.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.921 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.637 ' O ' HG23 ' B' ' 67' ' ' VAL . 1.8 m-20 -75.98 -45.37 35.1 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.195 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.7 m -65.4 -40.64 93.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 10.0 112.028 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.86 -32.34 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.076 0.465 . . . . 10.0 110.615 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -73.36 -41.03 63.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.916 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 63' ' ' ASN . 56.5 t -67.22 -53.15 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.03 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' PHE . . . . . 0.799 ' HA ' HD12 ' B' ' 71' ' ' ILE . 37.6 t80 -56.03 -38.89 71.17 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -70.54 -35.41 73.12 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.959 0.355 . . . . 10.0 111.959 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -71.28 -29.45 65.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.867 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' B' ' 68' ' ' PHE . 38.2 mt -68.57 -49.68 63.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.635 -0.505 . . . . 10.0 109.635 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' B' ' 75' ' ' ILE . 68.9 m-20 -65.44 -36.79 84.97 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.544 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.97 73.41 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.64 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -38.22 73.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.157 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' B' ' 72' ' ' ASP . 13.7 mt -69.15 -37.61 76.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.29 -36.98 78.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.021 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -76.62 -26.79 55.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.341 -0.391 . . . . 10.0 111.277 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -79.49 -15.11 58.33 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.814 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -99.22 119.49 37.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.265 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.202 -0.904 . . . . 10.0 111.112 179.331 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.734 0.302 . . . . 10.0 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.78 141.55 29.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 19.1 m -116.5 112.9 40.95 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.162 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.72 164.7 34.85 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.98 2.453 . . . . 10.0 111.632 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 56.4 t90 -74.5 109.77 8.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.893 0.378 . . . . 10.0 109.997 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m -152.55 134.96 15.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.75 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.78 -178.63 15.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.852 -0.69 . . . . 10.0 111.974 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -31.5 72.4 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.648 0.261 . . . . 10.0 111.608 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.582 ' H ' HD23 ' C' ' 9' ' ' LEU . 1.5 pt? -72.46 -30.42 64.54 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.115 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -72.3 -32.47 66.6 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.08 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -70.39 -36.53 74.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.729 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.403 ' HA ' ' HG2' ' C' ' 15' ' ' LYS . 60.9 t -73.46 -31.84 34.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.714 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 13' ' ' SER . . . . . 0.472 ' HA ' HE21 ' C' ' 61' ' ' GLN . 70.2 m -74.0 -27.45 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.578 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.47 59.01 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.926 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' C' ' 12' ' ' VAL . 7.1 ptmt -68.19 -33.01 73.65 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.648 -0.251 . . . . 10.0 111.464 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.642 ' HB3' ' HE1' ' C' ' 57' ' ' TYR . 8.8 m-85 -77.82 -32.41 52.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.126 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.57 -50.74 64.04 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.539 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -75.93 -24.17 55.5 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.82 -43.96 95.4 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.536 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.457 HG22 ' O ' ' C' ' 16' ' ' PHE . 27.6 m -112.13 29.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.693 0.282 . . . . 10.0 111.336 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.02 -56.02 25.94 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.325 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -83.43 -8.84 59.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.086 0.47 . . . . 10.0 110.88 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.456 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.0 tm? -70.51 -33.12 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.004 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' C' ' 20' ' ' VAL . 71.3 mt-30 -59.3 -44.93 92.49 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.652 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -71.08 -26.51 63.09 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.53 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -70.52 -28.66 65.11 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.797 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.456 HG23 ' O ' ' C' ' 23' ' ' LEU . 65.7 t -69.94 -45.76 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.081 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 35.2 p -72.22 -24.71 61.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.903 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.59 -46.48 54.05 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.534 -0.303 . . . . 10.0 110.988 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.37 -24.2 61.23 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.094 0.474 . . . . 10.0 110.206 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' C' ' 27' ' ' VAL . 13.4 tp -67.56 -43.91 79.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.83 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.22 -33.97 70.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.735 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -40.78 83.03 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.072 0.397 . . . . 10.0 112.072 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 35.0 tp -75.94 -24.72 55.5 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ALA . . . . . 0.69 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . . . -49.85 -45.97 50.89 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . 0.273 . . -111.24 24.66 12.59 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 114.81 1.411 . . . . 10.0 114.81 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.491 ' HB3' ' OD1' ' C' ' 40' ' ' ASP . 1.0 OUTLIER -117.94 109.07 41.6 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 176.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -43.67 -68.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.875 3.05 . . . . 10.0 113.778 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 66.0 m -147.03 124.03 11.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.858 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.576 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 5.2 m-20 -137.11 118.89 11.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.668 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.68 -36.31 53.1 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.519 2.146 . . . . 10.0 111.867 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.63 -39.25 58.11 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.784 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.576 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.1 mm? -72.37 -28.53 63.07 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.3 -38.98 68.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.464 -0.335 . . . . 10.0 110.653 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.1 -29.22 61.74 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.761 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.04 66.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.956 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -71.33 -34.01 70.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.946 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -63.23 -45.71 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.07 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 59.1 p -70.83 -39.0 73.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 10.0 112.062 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -69.97 -34.91 73.99 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -75.4 -31.55 60.47 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.765 0.317 . . . . 10.0 110.773 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 66.6 m -74.75 -29.92 61.31 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.429 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.91 -36.38 83.22 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -68.83 -34.26 75.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.161 -0.927 . . . . 10.0 109.231 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -64.65 -46.16 83.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.147 -0.933 . . . . 10.0 111.311 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' C' ' 56' ' ' LEU . 1.8 mm? -74.43 -28.49 61.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 57' ' ' TYR . . . . . 0.642 ' HE1' ' HB3' ' C' ' 16' ' ' PHE . 0.2 OUTLIER -64.97 -47.97 75.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 10.0 110.982 179.383 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.514 ' NH2' ' HB3' ' C' ' 61' ' ' GLN . 1.3 mmp_? -78.93 -33.45 45.38 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -67.35 -32.95 74.24 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.845 -0.342 . . . . 10.0 111.149 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.87 -31.09 56.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.597 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.514 ' HB3' ' NH2' ' C' ' 58' ' ' ARG . 45.8 tt0 -74.67 -37.55 62.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 52.1 p -71.15 -30.79 66.9 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.831 0.348 . . . . 10.0 110.144 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -75.23 -39.12 60.26 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.782 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 11.7 p -67.77 -37.97 82.8 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.666 0.247 . . . . 10.0 111.666 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 82.5 t -69.88 -33.77 57.25 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.103 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -74.39 -43.17 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' VAL . . . . . 0.494 ' O ' HG13 ' C' ' 71' ' ' ILE . 78.8 t -70.36 -48.36 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -60.96 -43.39 98.81 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.378 0.511 . . . . 10.0 112.378 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.616 ' HE3' ' HA ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -66.75 -34.48 77.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.681 -0.236 . . . . 10.0 111.296 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -31.04 71.37 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.462 -0.336 . . . . 10.0 111.064 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 71' ' ' ILE . . . . . 0.494 HG13 ' O ' ' C' ' 67' ' ' VAL . 74.7 mt -69.29 -42.81 81.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 72' ' ' ASP . . . . . 0.527 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 65.4 m-20 -67.54 -31.96 72.42 Favored 'General case' 0 C--N 1.335 -0.049 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.854 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.81 56.85 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.793 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.68 -46.09 48.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 10.0 110.837 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 51.7 mt -71.41 -30.98 41.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.623 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' C' ' 72' ' ' ASP . 1.7 tp -69.12 -34.14 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -83.64 -19.53 35.24 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.769 0.319 . . . . 10.0 111.266 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -79.3 -19.81 49.53 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -82.82 107.72 15.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.529 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.188 -0.911 . . . . 10.0 111.082 -179.865 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.745 0.307 . . . . 10.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.43 138.14 33.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 22.4 m -106.18 114.08 62.79 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.744 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.47 151.16 64.87 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.64 2.227 . . . . 10.0 112.008 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -72.19 110.21 6.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.295 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 61.3 m -156.35 121.83 4.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.953 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.74 178.74 19.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.906 -0.664 . . . . 10.0 111.757 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -34.54 78.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.631 0.253 . . . . 10.0 111.324 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.578 ' H ' HD23 ' D' ' 9' ' ' LEU . 1.9 pt? -72.15 -28.48 63.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.067 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -72.52 -32.0 65.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.973 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -70.52 -36.48 73.77 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.609 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' D' ' 15' ' ' LYS . 61.7 t -71.75 -35.03 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.58 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -73.43 -26.54 61.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.272 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.79 -42.74 57.57 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.64 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' D' ' 12' ' ' VAL . 0.9 OUTLIER -70.03 -28.65 65.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.484 -0.326 . . . . 10.0 111.578 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.62 ' HB3' ' HE1' ' D' ' 57' ' ' TYR . 2.5 m-85 -77.96 -37.46 47.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.007 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.16 -50.2 66.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.429 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -75.22 -23.96 57.66 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.82 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.07 -43.13 96.15 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.916 -0.584 . . . . 10.0 112.84 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' D' ' 23' ' ' LEU . 31.1 m -115.02 32.24 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 10.0 111.152 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.4 -51.81 68.31 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.541 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' D' ' 26' ' ' GLN . 4.9 m-20 -82.37 -10.88 58.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.169 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.511 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 0.9 OUTLIER -71.15 -25.86 62.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.762 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -65.51 -45.67 82.62 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.43 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -72.47 -25.93 61.61 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.548 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' D' ' 22' ' ' ASN . 91.8 mm-40 -70.88 -30.42 66.78 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.434 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.452 HG23 ' O ' ' D' ' 23' ' ' LEU . 95.0 t -72.16 -43.36 66.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.359 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -69.26 -28.08 66.0 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.5 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.31 -32.31 55.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.091 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.86 78.09 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.452 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.92 -34.48 66.63 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.78 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.08 -46.68 88.77 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.496 0.498 . . . . 10.0 111.374 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' D' ' 33' ' ' LYS . 10.1 mptt -71.24 -25.77 62.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.382 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.807 HD12 ' HZ1' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -76.34 -23.48 54.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.322 179.494 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.41 -55.27 35.71 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.792 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 3' ' ' THR 0.477 . . -98.06 26.35 5.34 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 115.536 1.68 . . . . 10.0 115.536 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -136.6 100.75 10.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 105.928 -1.879 . . . . 10.0 105.928 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -69.0 -74.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.77 2.314 . . . . 10.0 115.233 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 13.6 m -93.26 124.07 36.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.874 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 6.5 m-20 -139.41 119.69 9.41 Favored Pre-proline 0 N--CA 1.446 -0.639 0 N-CA-C 114.194 1.183 . . . . 10.0 114.194 -177.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.497 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 53.0 Cg_endo -73.42 -50.57 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.488 2.125 . . . . 10.0 110.709 176.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.79 -52.57 6.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.396 -1.274 . . . . 10.0 112.423 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' D' ' 43' ' ' LEU . 2.4 mm? -63.55 -23.0 67.2 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.31 1.226 . . . . 10.0 114.31 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.874 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -73.79 -37.55 64.91 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.07 0.462 . . . . 10.0 109.868 179.081 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.86 65.83 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.09 -0.959 . . . . 10.0 111.237 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.94 83.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.686 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -72.47 -33.14 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.832 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -62.05 -52.42 64.0 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 45.3 p -68.95 -38.95 79.74 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 50' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 34.7 mmtm -69.19 -31.67 70.44 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 79' ' ' PHE . 17.0 tp -74.83 -31.82 61.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.841 0.353 . . . . 10.0 110.33 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 50.9 m -74.7 -29.12 61.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.47 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.26 -36.54 81.81 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -67.25 -31.51 71.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.188 -0.914 . . . . 10.0 109.749 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 55' ' ' ASN . . . . . 0.617 HD22 HG12 ' B' ' 71' ' ' ILE . 28.5 t-20 -62.28 -50.46 71.59 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.304 -0.862 . . . . 10.0 112.232 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' D' ' 56' ' ' LEU . 1.3 mm? -73.91 -27.16 60.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 57' ' ' TYR . . . . . 0.62 ' HE1' ' HB3' ' D' ' 16' ' ' PHE . 8.3 t80 -60.13 -44.9 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 10.0 110.506 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -81.35 -31.5 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 10.0 112.483 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -72.12 -42.72 65.74 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.656 0.265 . . . . 10.0 111.574 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.64 -29.93 65.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.154 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 61' ' ' GLN . . . . . 0.492 ' O ' HG23 ' D' ' 65' ' ' VAL . 46.0 tt0 -73.74 -40.19 63.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.238 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 90.3 p -71.77 -26.88 62.62 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.267 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.414 ' O ' HG23 ' D' ' 67' ' ' VAL . 62.0 m-20 -73.91 -38.42 64.35 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.626 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 9.8 p -67.47 -37.47 82.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.788 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 65' ' ' VAL . . . . . 0.492 HG23 ' O ' ' D' ' 61' ' ' GLN . 31.7 t -71.99 -34.05 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 120.89 0.376 . . . . 10.0 110.406 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.9 -40.91 71.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.862 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.447 ' O ' HG13 ' D' ' 71' ' ' ILE . 77.2 t -74.12 -49.83 31.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 111.958 0.355 . . . . 10.0 111.958 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -56.69 -44.25 81.28 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 112.378 0.51 . . . . 10.0 112.378 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' D' ' 69' ' ' LYS . 30.1 mmtm -67.85 -34.89 77.58 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.77 -28.93 68.03 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.67 0.272 . . . . 10.0 111.142 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 71' ' ' ILE . . . . . 0.447 HG13 ' O ' ' D' ' 67' ' ' VAL . 83.9 mt -72.43 -44.77 61.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.931 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -64.84 -37.68 88.43 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.021 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.55 70.89 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.912 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.51 -37.73 71.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.157 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.71 -35.79 62.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.008 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.83 -36.84 77.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.929 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -72.65 -30.22 64.1 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.288 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -79.24 -15.97 57.2 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.002 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -93.78 117.53 30.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.083 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.278 -0.868 . . . . 10.0 111.251 179.379 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 tpp . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.821 0.344 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.46 142.25 31.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.432 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m -100.45 118.0 61.89 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.32 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -75.19 148.67 34.86 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.486 2.124 . . . . 10.0 110.986 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.609 ' HZ3' ' HB3' ' D' ' 38' ' ' PRO . 79.8 m95 -70.7 110.74 5.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.321 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -144.56 116.95 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 10.0 111.326 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.83 -177.15 38.97 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.758 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.444 ' O ' HG23 ' A' ' 12' ' ' VAL . 48.3 m-85 -67.11 -43.53 82.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.897 0.348 . . . . 10.0 111.283 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 tp -75.49 -38.4 59.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.137 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.17 -36.82 85.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.575 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -70.45 -36.05 73.7 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.973 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 8' ' ' TYR . 55.2 t -67.96 -38.97 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.714 0.292 . . . . 10.0 111.014 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 m -65.62 -47.4 75.76 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.738 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -21.92 60.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.995 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -63.53 -54.56 34.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.922 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 20' ' ' VAL . 68.6 m-85 -75.98 -30.6 58.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.67 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -51.01 63.38 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -79.15 -23.46 43.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.963 0.411 . . . . 10.0 110.22 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.05 -47.66 71.74 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-N 115.694 -0.684 . . . . 10.0 112.831 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 27.7 m -116.9 32.66 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.18 -47.83 82.74 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.499 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.405 ' O ' HG22 ' A' ' 25' ' ' THR . 8.2 t-20 -80.48 -12.57 59.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.249 0.547 . . . . 10.0 111.049 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.1 tm? -66.3 -30.92 71.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.231 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.55 -45.74 90.92 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 22' ' ' ASN . 14.7 t -70.84 -25.94 63.06 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.519 -0.309 . . . . 10.0 111.332 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -68.87 -32.16 71.63 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.961 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 23' ' ' LEU . 47.0 t -69.24 -44.77 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.906 0.384 . . . . 10.0 110.325 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.0 p -71.49 -24.48 61.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.874 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.85 -42.34 58.14 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.029 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.82 -30.29 66.69 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.721 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.2 tp -73.02 -35.99 66.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.822 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.5 -44.67 95.8 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.138 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 8.8 mptt -71.34 -29.8 65.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.604 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -32.82 74.71 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.455 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.61 -25.17 66.48 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.36 4.74 22.88 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 40.4 mmtm -110.22 125.56 30.77 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 112.034 0.383 . . . . 10.0 112.034 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 12.5 Cg_exo -71.47 -65.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.952 2.434 . . . . 10.0 110.866 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -118.64 124.1 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.798 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.38 95.86 11.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.551 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 28.0 Cg_endo -64.23 -43.02 15.81 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.478 2.119 . . . . 10.0 112.377 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.81 -41.28 53.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.798 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.7 mm? -71.21 -24.45 62.21 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.99 -41.66 70.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.871 0.367 . . . . 10.0 110.653 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -31.42 62.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.768 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.62 69.76 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.034 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -71.12 -34.18 70.82 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.705 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -66.29 -39.49 89.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.336 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.598 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 39.7 t -73.41 -42.75 61.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.729 -0.669 . . . . 10.0 111.37 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 66.4 mmtt -69.32 -32.64 71.88 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.586 0.588 . . . . 10.0 112.586 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.1 -33.34 61.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.783 0.325 . . . . 10.0 110.942 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.5 p -74.06 -29.4 61.86 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.367 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 49' ' ' SER . 51.0 mt-10 -66.48 -37.01 84.16 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -68.26 -36.7 79.82 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.928 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -64.66 -43.83 92.35 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.284 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.9 mm? -67.7 -35.68 79.26 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.221 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.23 -48.3 76.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.792 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.719 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -75.46 -35.59 60.85 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 4.8 m-20 -71.82 -39.73 69.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.22 -32.02 66.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.562 0.22 . . . . 10.0 111.157 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.638 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.8 tt0 -74.39 -47.25 35.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.067 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -64.32 -28.1 69.48 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.844 0.354 . . . . 10.0 110.804 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.6 t-20 -72.58 -42.6 64.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.81 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.3 p -69.44 -37.26 77.28 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.6 t -63.98 -44.21 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.659 0.266 . . . . 10.0 111.391 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.85 -48.06 40.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.65 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.9 t -64.97 -51.24 69.19 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.846 ' HE1' ' HB3' ' D' ' 39' ' ' SER . 54.9 t80 -56.47 -37.75 70.75 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.597 0.561 . . . . 10.0 112.053 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 12.5 mmmt -73.13 -35.27 66.49 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -61.42 -33.79 74.29 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.851 0.357 . . . . 10.0 110.272 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.666 ' O ' HD12 ' A' ' 75' ' ' ILE . 3.0 mt -68.83 -51.54 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.842 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.409 ' OD1' HD13 ' D' ' 44' ' ' LEU . 0.8 OUTLIER -53.86 -42.21 68.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.014 -0.994 . . . . 10.0 111.86 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -73.81 -26.93 60.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.994 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -47.58 65.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.69 -0.232 . . . . 10.0 111.072 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 71' ' ' ILE . 3.1 mt -63.6 -38.19 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.016 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 79' ' ' PHE . 19.5 mt -56.51 -43.41 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.17 -0.923 . . . . 10.0 110.714 179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -83.59 -13.53 54.14 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.157 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.511 ' O ' ' HG3' ' C' ' 66' ' ' LYS . 68.8 m-20 -85.97 -2.25 58.11 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 76' ' ' ILE . 1.4 m-85 -54.03 -84.52 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.264 177.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.908 ' HA ' ' HE3' ' C' ' 66' ' ' LYS . 59.3 mtm180 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.313 -0.851 . . . . 10.0 111.038 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.0 tpp . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.738 0.304 . . . . 10.0 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.58 144.69 32.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -103.85 112.68 65.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.71 143.03 45.15 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.626 2.217 . . . . 10.0 111.76 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -69.57 111.04 5.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.971 0.415 . . . . 10.0 111.081 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 10.3 p -149.35 107.9 3.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.82 -171.6 27.0 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.465 ' O ' HG23 ' B' ' 12' ' ' VAL . 65.8 m-85 -66.68 -45.69 78.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.005 0.403 . . . . 10.0 111.483 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 tp -75.31 -39.12 59.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.534 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -64.99 -39.94 94.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.711 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.66 ' HB3' HD11 ' D' ' 31' ' ' LEU . 0.5 OUTLIER -69.08 -35.25 76.28 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.699 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.781 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 53.8 t -66.35 -34.09 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.325 0.583 . . . . 10.0 111.003 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m -71.53 -45.27 62.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.372 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.72 -25.36 56.54 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.837 ' HE3' ' HG ' ' D' ' 34' ' ' LEU . 0.5 OUTLIER -65.48 -49.01 70.64 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.811 0.3 . . . . 10.0 111.811 -179.181 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.688 ' N ' ' HG3' ' B' ' 15' ' ' LYS . 33.8 m-85 -76.64 -31.7 57.52 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.692 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.5 OUTLIER -66.09 -52.78 45.56 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 114.499 1.296 . . . . 10.0 114.499 -178.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -77.38 -23.81 50.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 10.0 111.872 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.6 -48.12 13.95 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 115.186 0.834 . . . . 10.0 115.186 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.636 HG22 ' O ' ' B' ' 16' ' ' PHE . 34.3 m -109.26 31.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.385 0.612 . . . . 10.0 112.119 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' B' ' 17' ' ' ASP . 13.3 t70 -71.18 -20.54 62.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.372 -0.831 . . . . 10.0 110.633 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.531 ' HB3' ' HE1' ' A' ' 5' ' ' TRP . 6.3 t-20 -93.11 -23.84 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.621 ' HG ' ' HB ' ' B' ' 20' ' ' VAL 0.284 0.8 OUTLIER -68.52 -21.29 64.58 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.607 0.966 . . . . 10.0 113.607 -179.833 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.417 ' N ' HD12 ' B' ' 23' ' ' LEU . 81.8 mm-40 -57.9 -47.33 83.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.006 0.431 . . . . 10.0 110.211 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -73.79 -25.87 60.35 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.78 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -69.85 -31.76 69.78 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.145 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 23' ' ' LEU . 98.7 t -70.88 -45.07 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.898 0.38 . . . . 10.0 110.015 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 39.3 p -69.56 -24.74 63.75 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.457 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.99 -41.18 52.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.637 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.48 64.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.695 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -73.17 -35.96 66.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.624 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.05 -44.82 91.31 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.699 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.95 -24.2 61.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.656 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -67.99 -34.59 76.81 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.994 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.61 -12.03 60.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.889 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.56 6.37 23.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.997 0.369 . . . . 10.0 111.997 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 43.9 mmtm -122.4 126.82 26.08 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 16.9 Cg_exo -69.45 -58.36 0.1 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.89 2.393 . . . . 10.0 110.551 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.3 p -130.81 124.68 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.48 -0.782 . . . . 10.0 108.922 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.595 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.6 OUTLIER -136.6 95.88 12.41 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -178.747 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 27.7 Cg_endo -64.51 -34.53 52.77 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.452 2.101 . . . . 10.0 111.492 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.71 ' HA ' ' NH1' ' A' ' 58' ' ' ARG . . . -76.04 -46.58 28.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.227 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.9 mm? -71.34 -21.13 62.08 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.761 0.652 . . . . 10.0 112.761 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.7 tp -69.57 -43.66 72.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.872 0.368 . . . . 10.0 110.623 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.48 62.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.801 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.45 64.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.365 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -71.3 -33.71 69.94 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.833 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -66.09 -39.3 89.89 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.679 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 35.7 t -74.9 -38.69 61.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.338 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' B' ' 50' ' ' LYS . 66.2 mmtt -74.35 -32.36 62.76 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.8 tp -74.09 -34.79 64.11 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 84.0 p -74.07 -28.1 61.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.255 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.744 ' HA ' HD23 ' B' ' 56' ' ' LEU . 19.6 mt-10 -67.04 -37.1 83.51 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.306 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -69.56 -30.05 67.75 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 66.8 t30 -69.02 -42.79 75.91 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.791 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' B' ' 53' ' ' GLU . 0.7 OUTLIER -68.64 -29.61 68.13 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.802 0.334 . . . . 10.0 111.234 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -68.99 -47.02 66.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.555 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.624 ' HA ' ' HE ' ' B' ' 58' ' ' ARG . 0.6 OUTLIER -78.49 -33.35 48.26 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.473 0.545 . . . . 10.0 112.473 -179.419 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 3.2 m120 -71.23 -50.68 30.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.0 77.18 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.203 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.459 ' O ' HG23 ' B' ' 65' ' ' VAL . 41.2 tt0 -70.35 -45.06 66.87 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.478 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 80.7 p -65.78 -24.65 66.98 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.785 0.326 . . . . 10.0 110.805 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.499 ' O ' HG12 ' B' ' 67' ' ' VAL . 1.2 m-20 -74.85 -44.56 48.45 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.161 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 34.5 p -70.25 -37.24 74.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 10.0 112.071 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 61' ' ' GLN . 49.3 t -61.0 -42.34 92.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.273 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -73.64 -45.73 50.96 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 113.36 0.874 . . . . 10.0 113.36 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 80' ' ' ARG . 5.6 p -61.17 -48.37 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -64.92 -35.43 81.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.649 0.262 . . . . 10.0 111.516 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.573 ' HA ' ' HE3' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -73.63 -36.46 65.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -70.95 -38.91 72.85 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.625 0.25 . . . . 10.0 111.625 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 75' ' ' ILE . 15.8 pt -75.06 -29.19 21.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.402 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -72.07 -40.89 67.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.062 0.458 . . . . 10.0 109.807 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 -21.91 60.46 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.741 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.39 -38.6 74.72 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.416 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 71' ' ' ILE . 14.0 mt -65.54 -42.58 93.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.088 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 68.2 mt -58.65 -37.53 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.26 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -83.51 -19.6 35.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.612 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -89.33 -0.18 57.28 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.278 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -85.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.447 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' B' ' 80' ' ' ARG . 6.4 ptt180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.105 -0.95 . . . . 10.0 111.323 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.2 tpt . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.763 0.316 . . . . 10.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.13 142.2 32.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.211 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 20.5 m -108.78 112.57 60.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.729 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.25 156.6 46.36 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.736 2.29 . . . . 10.0 112.352 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -69.91 111.18 5.45 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.999 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 17.1 p -148.4 124.46 10.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.01 0.433 . . . . 10.0 111.302 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.07 -169.98 40.37 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.8 -0.637 . . . . 10.0 111.728 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -66.75 -47.22 72.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.751 0.31 . . . . 10.0 111.513 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 37.4 tp -74.74 -36.07 62.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.504 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -67.45 -35.82 79.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.974 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' C' ' 15' ' ' LYS . 0.5 OUTLIER -71.44 -36.32 71.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.578 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.47 -40.13 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.713 0.292 . . . . 10.0 110.987 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 48.6 m -65.57 -45.22 84.1 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.108 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.89 59.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.557 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' C' ' 11' ' ' ASP . 5.2 tptp -67.19 -46.51 73.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.489 ' O ' HG22 ' C' ' 20' ' ' VAL . 57.2 m-85 -77.87 -32.95 52.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.673 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -50.59 65.79 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.175 0.435 . . . . 10.0 112.175 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -79.28 -23.98 43.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 10.0 111.292 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.55 -49.15 58.03 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.999 -0.62 . . . . 10.0 113.046 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.524 ' HB ' ' HB3' ' C' ' 23' ' ' LEU . 27.0 m -110.11 31.63 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 111.982 0.364 . . . . 10.0 111.982 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.87 -48.81 78.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -85.61 -11.4 54.03 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.042 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.524 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.0 tm? -65.67 -33.48 75.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.351 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -58.38 -47.18 84.7 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.116 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -69.12 -25.77 64.56 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.427 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -69.37 -30.69 68.74 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.568 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 67.3 t -68.79 -46.23 79.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.414 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.3 p -71.23 -24.72 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.827 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -72.52 -47.05 51.5 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.285 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.48 -29.17 67.72 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.957 0.408 . . . . 10.0 110.808 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 40.3 tp -72.98 -34.99 66.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.257 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.76 -37.73 87.76 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.249 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' C' ' 33' ' ' LYS . 0.6 OUTLIER -71.87 -32.82 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 10.0 110.949 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.444 HD12 ' HE1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -68.17 -21.22 64.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.395 179.239 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.14 -55.46 3.89 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 113.739 1.014 . . . . 10.0 113.739 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.57 25.3 5.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' C' ' 37' ' ' LYS . 0.0 OUTLIER -87.55 123.36 69.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 10.0 110.785 179.416 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.503 ' CB ' ' HG2' ' A' ' 53' ' ' GLU . 19.0 Cg_endo -59.41 -73.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.163 2.575 . . . . 10.0 113.21 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -131.63 125.61 32.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.003 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.768 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -135.63 92.58 16.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.485 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 41' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 22.6 Cg_endo -63.21 -37.7 49.51 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.585 2.19 . . . . 10.0 112.128 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.62 54.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.908 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.768 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.7 mm? -72.24 -22.28 61.27 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.504 0.557 . . . . 10.0 112.504 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.26 -42.6 71.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.863 0.363 . . . . 10.0 110.567 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.82 -31.03 63.03 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.706 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.18 66.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.139 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -69.6 -34.33 73.96 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.84 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -67.3 -39.42 85.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.871 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t -73.71 -42.13 61.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.613 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 71.3 mmtt -69.6 -31.89 70.29 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.331 0.493 . . . . 10.0 112.331 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tp -75.3 -33.69 61.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.645 0.259 . . . . 10.0 111.05 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -74.68 -30.82 61.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.382 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -64.05 -36.35 83.71 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -70.62 -35.89 73.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.046 -0.979 . . . . 10.0 109.898 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -61.45 -50.73 71.61 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.934 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' C' ' 56' ' ' LEU . 2.4 mm? -70.11 -27.01 64.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.034 -0.53 . . . . 10.0 112.381 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 57' ' ' TYR . . . . . 0.497 ' CD2' ' HG2' ' C' ' 58' ' ' ARG . 1.1 t80 -63.21 -54.97 29.17 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.843 0.312 . . . . 10.0 111.843 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.683 HH21 ' HG2' ' C' ' 61' ' ' GLN . 0.6 OUTLIER -75.94 -33.16 59.82 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -178.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -67.42 -40.25 85.53 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.554 0.216 . . . . 10.0 111.533 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.3 -32.28 62.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.407 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.683 ' HG2' HH21 ' C' ' 58' ' ' ARG . 5.9 tp60 -66.07 -52.44 48.9 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.118 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 58.9 p -64.15 -32.98 74.75 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.643 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -66.73 -50.03 64.08 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.973 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 28.9 p -64.12 -37.11 86.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.556 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.595 HG23 ' O ' ' C' ' 61' ' ' GLN . 54.1 t -60.2 -52.03 66.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.41 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 66' ' ' LYS . . . . . 0.908 ' HE3' ' HA ' ' A' ' 80' ' ' ARG . 4.3 tmtt? -72.44 -34.56 67.88 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.67 -48.58 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -64.68 -34.29 77.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.67 0.272 . . . . 10.0 111.463 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 28.1 mmmt -72.3 -34.12 67.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.812 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -63.83 -33.17 75.09 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.763 0.316 . . . . 10.0 110.374 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.56 -41.89 72.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.684 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.9 -36.21 82.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.48 -22.41 47.54 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.206 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.47 -40.26 61.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.625 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.97 -42.59 82.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 5.7 tp -62.13 -31.55 51.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.505 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -84.69 -20.21 31.57 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.752 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -82.46 -6.51 59.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.087 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -53.61 -85.63 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.881 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 80' ' ' ARG . . . . . 0.867 ' NH2' ' HB ' ' D' ' 67' ' ' VAL . 36.3 mtm180 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.095 -0.955 . . . . 10.0 111.389 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 56.9 tpp . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.661 0.267 . . . . 10.0 110.93 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.71 144.43 32.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.962 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 25.1 m -103.3 112.75 65.9 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.87 145.35 50.52 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.593 2.195 . . . . 10.0 111.822 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -71.2 111.23 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.98 0.419 . . . . 10.0 111.271 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 8.9 p -147.58 110.96 4.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.963 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.97 -171.68 27.27 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.017 -0.611 . . . . 10.0 111.716 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -66.97 -50.35 62.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.981 0.363 . . . . 10.0 111.981 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -35.36 62.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.771 0.319 . . . . 10.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.73 -39.37 93.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.855 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.58 -36.44 63.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.976 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.76 -44.57 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.572 0.225 . . . . 10.0 111.385 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 17.1 p -67.9 -36.16 79.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.442 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.08 -25.94 58.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.737 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -41.33 70.94 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.612 -0.267 . . . . 10.0 111.439 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.438 ' O ' HG22 ' D' ' 20' ' ' VAL . 47.1 m-85 -78.43 -44.24 25.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.73 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -50.82 65.46 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.9 m -79.51 -28.85 41.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.689 0.281 . . . . 10.0 111.631 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.03 -53.46 33.62 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.947 -0.644 . . . . 10.0 113.567 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.466 ' HB ' ' HB2' ' D' ' 23' ' ' LEU . 32.1 m -106.89 32.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.178 0.513 . . . . 10.0 111.612 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.6 -39.12 86.97 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.535 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -80.63 -8.92 59.78 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.904 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.491 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.5 OUTLIER -71.14 -26.14 62.87 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.726 -0.215 . . . . 10.0 111.414 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -61.22 -46.3 91.0 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t -73.3 -25.78 60.8 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.623 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -68.96 -35.39 76.69 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.354 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 23' ' ' LEU . 51.4 t -71.26 -40.1 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.84 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -69.49 -28.42 66.05 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.791 0.329 . . . . 10.0 111.319 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -77.32 -33.93 55.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.449 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.27 -42.5 72.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.524 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -72.99 -34.89 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.918 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -62.47 -45.46 92.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.384 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' D' ' 37' ' ' LYS . 0.0 OUTLIER -69.06 -47.2 65.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.946 179.542 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.837 ' HG ' ' HE3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -61.94 -23.19 66.21 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 -179.191 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 35' ' ' ALA . . . . . 0.809 ' HA ' ' HE2' ' B' ' 15' ' ' LYS . . . -50.24 -54.03 24.02 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.48 24.26 5.32 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' D' ' 33' ' ' LYS . 12.9 mmtp -121.68 103.2 40.93 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.609 ' HB3' ' HZ3' ' A' ' 5' ' ' TRP . 14.4 Cg_endo -58.47 -73.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.952 2.435 . . . . 10.0 113.402 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 39' ' ' SER . . . . . 0.846 ' HB3' ' HE1' ' A' ' 68' ' ' PHE . 16.2 m -96.38 124.05 40.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.822 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.4 OUTLIER -138.18 106.05 7.96 Favored Pre-proline 0 C--O 1.216 -0.682 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -178.131 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.753 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 38.2 Cg_endo -69.48 -48.3 0.81 Allowed 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 122.646 2.231 . . . . 10.0 111.698 177.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.72 -47.59 15.05 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.197 -0.911 . . . . 10.0 112.45 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 2.4 mm? -65.21 -23.78 67.17 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.822 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -82.44 -42.53 18.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 10.0 110.844 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.87 -32.63 67.65 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.999 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.35 -36.78 71.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.857 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.72 -34.22 71.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.016 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.75 -40.88 96.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.527 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 88.8 p -76.77 -38.76 53.52 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 68.4 mmtt -68.83 -36.99 78.86 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.41 -30.13 59.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.16 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 93.4 p -74.49 -30.11 61.7 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.94 0.4 . . . . 10.0 109.946 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.95 -36.64 75.44 Favored 'General case' 0 C--O 1.23 0.079 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -67.04 -35.79 80.65 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.209 -0.905 . . . . 10.0 110.422 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -62.35 -52.18 64.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.5 -0.773 . . . . 10.0 112.003 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.3 mm? -70.76 -27.18 63.75 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.17 0.804 . . . . 10.0 113.17 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.067 0.46 . . . . 10.0 110.096 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 58' ' ' ARG . . . . . 0.717 ' HA ' ' HE ' ' D' ' 58' ' ' ARG . 0.4 OUTLIER -82.45 -36.36 26.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.363 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -71.44 -37.48 71.42 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.81 -33.95 62.3 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.679 0.251 . . . . 10.0 111.679 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -73.46 -41.02 63.72 Favored 'General case' 0 C--N 1.334 -0.072 0 CA-C-O 120.72 0.295 . . . . 10.0 111.095 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p -70.15 -25.84 63.65 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.002 0.429 . . . . 10.0 110.494 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.47 ' O ' HG22 ' D' ' 67' ' ' VAL . 13.7 t-20 -76.28 -42.75 44.42 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.995 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 14.1 p -66.93 -38.17 85.66 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 65' ' ' VAL . . . . . 0.479 ' O ' ' HB2' ' D' ' 69' ' ' LYS . 87.1 t -70.17 -32.82 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.814 0.34 . . . . 10.0 110.548 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -48.27 50.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.495 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.867 ' HB ' ' NH2' ' C' ' 80' ' ' ARG . 32.8 m -73.47 -39.41 54.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 -178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -67.34 -40.87 85.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.759 0.314 . . . . 10.0 111.334 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' D' ' 65' ' ' VAL . 0.0 OUTLIER -68.21 -34.43 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.347 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -66.72 -33.06 74.79 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.396 -0.366 . . . . 10.0 111.638 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 71' ' ' ILE . . . . . 0.422 HG13 ' O ' ' D' ' 67' ' ' VAL . 84.8 mt -71.94 -44.57 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.928 0.394 . . . . 10.0 110.295 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.7 -43.59 98.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.462 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.56 -25.7 63.2 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.991 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.58 75.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.339 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.25 -39.64 83.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.759 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.63 -35.1 65.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.692 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -83.43 -16.92 43.95 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.255 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -92.9 -1.28 56.87 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.333 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 79' ' ' PHE . . . . . 0.4 ' HD1' ' HA ' ' D' ' 79' ' ' PHE . 2.4 m-30 -58.4 -86.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.382 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.208 -0.901 . . . . 10.0 110.867 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.934 0.397 . . . . 10.0 111.765 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.68 150.47 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.4 p -92.23 121.57 66.37 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.563 0.221 . . . . 10.0 111.587 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.8 141.31 37.08 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.8 2.333 . . . . 10.0 112.584 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.791 ' HE1' HD23 ' B' ' 23' ' ' LEU . 16.7 t90 -75.97 110.92 10.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.015 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -88.88 128.74 35.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.67 0.271 . . . . 10.0 111.421 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.0 152.71 13.3 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.808 -0.71 . . . . 10.0 112.249 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.46 -37.46 82.96 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.837 0.31 . . . . 10.0 111.837 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.604 HD21 ' CD2' ' A' ' 68' ' ' PHE . 2.6 mm? -74.98 -22.19 58.69 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.395 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 25.7 t70 -68.8 -36.01 77.71 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.987 0.422 . . . . 10.0 110.05 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.32 -36.35 71.54 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.252 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.403 HG11 HG21 ' A' ' 64' ' ' THR . 59.7 t -70.01 -35.53 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.321 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -68.23 -46.69 69.83 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.811 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.83 63.0 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.058 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' C' ' 35' ' ' ALA . 20.3 tptp -65.95 -42.95 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.551 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' O ' HG22 ' A' ' 20' ' ' VAL . 13.1 m-85 -71.49 -32.91 68.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.2 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.47 -42.3 92.41 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -67.93 -24.18 65.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.113 0.483 . . . . 10.0 109.922 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -37.96 45.01 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.581 -0.736 . . . . 10.0 112.327 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 16' ' ' PHE . 21.1 m -111.7 31.56 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 120.732 0.301 . . . . 10.0 111.766 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.77 -55.42 19.9 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.317 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -81.63 -10.74 59.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.36 0.6 . . . . 10.0 110.245 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 tm? -69.37 -32.18 71.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.57 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -60.03 -46.38 89.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.872 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -71.08 -26.23 62.97 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.501 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -70.66 -30.32 66.9 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.15 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 23' ' ' LEU . 86.2 t -70.64 -43.49 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.279 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 p -73.04 -25.13 60.83 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.537 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.73 -40.99 65.65 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.048 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.42 -24.27 54.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.789 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.7 tp -69.67 -46.64 65.63 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.618 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.74 -31.53 68.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.855 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -69.51 -36.14 76.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.937 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 43' ' ' LEU . 1.4 tm? -76.57 -30.93 57.23 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.185 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -23.95 60.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.987 0.366 . . . . 10.0 111.987 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.96 4.6 53.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.765 0.317 . . . . 10.0 111.591 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -131.41 136.51 28.75 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.763 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.39 -66.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.693 2.262 . . . . 10.0 112.176 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 p -150.2 125.65 10.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 10.0 111.448 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.86 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -133.58 125.4 18.52 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.52 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.63 -36.09 54.98 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.425 2.084 . . . . 10.0 111.974 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.37 -37.23 60.71 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.748 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.86 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 4.0 mm? -72.24 -30.72 65.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.839 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.6 mt -72.69 -34.77 67.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.143 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.98 -35.26 64.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.683 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.68 -41.86 64.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.118 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -69.72 -34.37 73.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.216 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -40.21 79.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.885 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 27.7 t -72.83 -40.99 65.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.284 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -68.41 -33.22 73.85 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.1 tp -73.88 -29.66 62.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.948 0.404 . . . . 10.0 110.422 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.9 m -74.29 -29.79 61.8 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.523 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.969 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 45.2 mt-10 -68.66 -37.09 79.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.047 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -70.35 -32.5 70.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.583 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.48 -38.47 87.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.428 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.518 HD11 HD11 ' C' ' 44' ' ' LEU . 0.7 OUTLIER -70.13 -31.47 69.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.6 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 2.0 t80 -65.75 -41.61 91.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 10.0 110.139 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -77.58 -33.35 53.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 10.0 112.423 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -73.15 -44.76 59.6 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.404 ' HB3' ' HE2' ' A' ' 16' ' ' PHE . . . -72.9 -31.11 64.43 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.851 0.315 . . . . 10.0 111.851 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 49.3 tt0 -67.71 -50.33 58.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.042 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.2 p -70.87 -21.24 62.43 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.689 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.592 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -70.16 -44.77 68.13 Favored 'General case' 0 C--O 1.227 -0.107 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.318 178.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.403 HG21 HG11 ' A' ' 12' ' ' VAL . 5.9 m -63.27 -38.14 89.99 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.08 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 89.2 t -68.13 -40.24 82.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -68.66 -38.5 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 63' ' ' ASN . 20.1 t -67.96 -52.37 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 113.823 1.046 . . . . 10.0 113.823 -178.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.83 ' HE2' ' HB3' ' D' ' 39' ' ' SER . 20.6 t80 -65.72 -35.57 81.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.487 -0.485 . . . . 10.0 112.281 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -62.89 -33.62 75.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.977 0.418 . . . . 10.0 110.486 178.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -71.38 -47.97 52.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.881 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -65.04 -39.07 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.702 ' HA ' HD12 ' A' ' 75' ' ' ILE . 9.6 t70 -70.55 -27.65 64.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.539 -0.301 . . . . 10.0 111.765 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.89 -32.12 70.29 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.789 0.328 . . . . 10.0 110.253 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.39 77.18 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.969 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 72' ' ' ASP . 18.0 mt -63.74 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.73 0.776 . . . . 10.0 109.536 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.521 ' O ' ' HB2' ' A' ' 79' ' ' PHE . 3.7 mt -58.15 -42.98 84.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.664 -1.153 . . . . 10.0 111.307 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.95 -15.11 60.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.787 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -75.52 -21.07 58.29 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' A' ' 76' ' ' ILE . 20.1 m-85 -58.03 118.9 5.9 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.155 -0.929 . . . . 10.0 109.808 177.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.112 -0.947 . . . . 10.0 111.943 -179.54 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.862 0.363 . . . . 10.0 111.182 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.84 148.88 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.4 p -92.85 118.47 67.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.995 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.56 136.55 31.15 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.778 2.318 . . . . 10.0 112.524 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' B' ' 10' ' ' ASP . 23.9 t90 -76.44 112.47 12.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.49 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 42.0 m -87.65 125.7 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.461 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.22 149.6 11.93 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.959 -0.639 . . . . 10.0 112.267 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -66.6 -37.64 85.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.612 0.244 . . . . 10.0 111.581 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.23 -22.19 58.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.723 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.403 ' HB2' ' CZ3' ' B' ' 5' ' ' TRP . 26.7 t70 -69.56 -33.99 73.54 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.423 ' OD2' HD21 ' D' ' 31' ' ' LEU . 16.5 t70 -73.37 -36.15 66.05 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.199 -0.91 . . . . 10.0 110.141 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.508 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 84.8 t -67.82 -32.48 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.338 0.589 . . . . 10.0 109.951 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -71.22 -40.87 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.655 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -28.42 61.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.21 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.517 ' NZ ' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -64.28 -41.72 96.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.812 0.339 . . . . 10.0 111.019 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.669 ' O ' HG22 ' B' ' 20' ' ' VAL . 36.6 m-85 -73.54 -39.02 65.05 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.282 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -57.02 -50.52 72.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.334 1.235 . . . . 10.0 114.334 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.7 m -56.19 -32.88 64.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.39 -43.15 16.6 Favored Glycine 0 CA--C 1.494 -1.236 0 C-N-CA 120.617 -0.801 . . . . 10.0 114.326 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.886 HG12 HD21 ' B' ' 23' ' ' LEU . 17.1 m -87.09 12.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.091 -0.554 . . . . 10.0 111.041 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -64.24 -43.14 95.85 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.706 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.408 ' O ' HG22 ' B' ' 25' ' ' THR . 7.3 t-20 -82.87 -27.35 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.886 HD21 HG12 ' B' ' 20' ' ' VAL 0.29 3.8 pp -70.9 -20.39 62.5 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 54.6 mt-30 -57.49 -47.49 81.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.016 0.436 . . . . 10.0 110.038 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.408 HG22 ' O ' ' B' ' 22' ' ' ASN . 15.0 t -73.32 -26.05 60.89 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.579 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -70.04 -29.6 66.67 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.848 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 23' ' ' LEU . 92.6 t -70.58 -45.03 76.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 38.0 p -71.67 -26.4 62.51 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.202 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 25' ' ' THR . 1.1 tm-20 -72.05 -41.25 67.67 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.277 -0.42 . . . . 10.0 109.999 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.16 -24.37 57.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.759 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp -71.32 -45.59 62.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.504 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -70.67 -31.57 68.53 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.999 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -69.49 -34.59 74.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.873 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' B' ' 34' ' ' LEU . 1.0 OUTLIER -76.13 -31.09 58.46 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.673 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.67 -21.31 57.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.556 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.07 4.43 53.92 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.28 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -132.1 146.08 60.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.938 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -66.4 -61.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.595 2.197 . . . . 10.0 111.272 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.7 p -160.97 125.8 3.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.955 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.666 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -132.38 124.86 19.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.527 179.681 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.23 -31.69 74.16 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.37 2.046 . . . . 10.0 111.672 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.67 -41.58 60.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.333 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.4 mm? -72.63 -23.33 60.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.9 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.93 -44.72 65.59 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.308 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.2 -28.94 61.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.966 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.77 -42.44 70.42 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.462 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -72.05 -33.7 68.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.498 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -41.38 79.23 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.823 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 43.4 t -70.2 -39.18 75.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.787 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -71.59 -31.84 67.37 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.815 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.55 -31.78 62.23 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.032 0.444 . . . . 10.0 109.82 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.2 m -73.7 -29.21 62.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.364 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -69.67 -36.91 76.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.069 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -69.49 -32.39 71.24 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -69.72 -29.88 67.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.601 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.47 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -66.02 -35.46 80.61 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.078 179.028 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 57' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 9.1 t80 -67.26 -48.46 67.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.702 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.458 ' HD3' HH11 ' B' ' 58' ' ' ARG . 3.0 mmp_? -75.63 -24.23 56.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.391 0.885 . . . . 10.0 113.391 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -78.26 -58.32 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.98 -30.26 70.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.472 0.177 . . . . 10.0 111.301 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.433 ' O ' HG23 ' B' ' 65' ' ' VAL . 50.6 tt0 -67.33 -45.11 77.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.382 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 79.0 p -70.94 -21.16 62.38 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.673 0.273 . . . . 10.0 111.27 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.645 ' O ' HG23 ' B' ' 67' ' ' VAL . 9.0 m-20 -75.75 -45.35 36.89 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.418 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -61.51 -37.5 83.94 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.688 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 61' ' ' GLN . 59.1 t -67.17 -37.63 79.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.848 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -71.46 -33.33 69.24 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 63' ' ' ASN . 23.6 t -66.35 -53.03 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -70.11 -35.17 73.94 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.57 0.582 . . . . 10.0 112.57 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.446 ' NZ ' ' HA ' ' B' ' 69' ' ' LYS . 3.0 mmpm? -65.13 -34.65 78.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.708 0.29 . . . . 10.0 111.543 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -71.39 -46.14 61.06 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.185 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.478 HG21 ' ND2' ' D' ' 55' ' ' ASN . 1.2 pt -71.43 -29.2 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.857 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.574 ' HA ' HD12 ' B' ' 75' ' ' ILE . 32.8 t70 -72.28 -32.88 67.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.36 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.88 -32.51 73.06 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.026 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.85 87.35 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.745 -0.662 . . . . 10.0 110.811 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' B' ' 72' ' ' ASP . 10.8 mt -65.84 -43.08 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.786 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.489 ' HA ' ' HD2' ' B' ' 79' ' ' PHE . 76.0 mt -61.35 -35.57 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.016 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -77.77 -16.35 58.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.181 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -80.25 -22.51 41.64 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.56 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.489 ' HD2' ' HA ' ' B' ' 76' ' ' ILE . 30.7 m-85 -63.04 126.12 26.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.742 178.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.053 -0.975 . . . . 10.0 111.619 -179.867 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.743 0.306 . . . . 10.0 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.82 147.99 43.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 23.8 p -92.96 119.55 67.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.69 160.49 37.81 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.898 2.399 . . . . 10.0 112.745 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' TRP . . . . . 0.432 ' CE3' ' HB2' ' C' ' 10' ' ' ASP . 8.0 t90 -81.78 125.42 30.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.775 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -102.56 126.59 49.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.509 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.58 158.53 21.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.539 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.04 -33.82 76.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.949 0.404 . . . . 10.0 111.376 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.591 ' H ' HD12 ' C' ' 9' ' ' LEU . 3.5 mp -74.23 -23.14 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.094 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.432 ' HB2' ' CE3' ' C' ' 5' ' ' TRP . 20.8 t70 -71.69 -34.59 69.78 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.399 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -73.05 -37.44 66.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.783 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.519 HG11 HG21 ' C' ' 64' ' ' THR . 59.4 t -69.19 -35.97 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.698 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -67.4 -46.57 72.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.683 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -25.57 63.8 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.421 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -65.56 -39.48 91.74 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 10.0 110.707 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.515 ' O ' HG22 ' C' ' 20' ' ' VAL . 18.5 m-30 -75.5 -33.39 60.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.069 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -65.16 -39.54 93.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.933 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 16.3 m -70.43 -29.47 66.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.928 0.394 . . . . 10.0 110.767 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.48 -34.33 60.43 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.016 -0.611 . . . . 10.0 112.276 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.515 HG22 ' O ' ' C' ' 16' ' ' PHE . 29.2 m -110.15 30.34 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.768 0.318 . . . . 10.0 111.484 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.11 -55.9 18.68 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.413 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -83.86 -9.11 58.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.224 0.535 . . . . 10.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.462 ' O ' HG23 ' C' ' 27' ' ' VAL . 2.9 tm? -69.22 -33.87 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.034 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -59.25 -45.58 90.79 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.13 -0.486 . . . . 10.0 112.089 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -71.67 -26.01 62.35 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.599 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.46 -28.5 63.99 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.773 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.462 HG23 ' O ' ' C' ' 23' ' ' LEU . 92.5 t -70.15 -46.4 72.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.065 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.115 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 38.3 p -71.13 -25.81 62.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.487 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.79 -44.14 67.23 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.324 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.77 -24.07 52.91 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.965 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 tp -71.2 -42.96 68.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.505 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -31.39 68.14 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.62 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 25.6 mttp -71.71 -35.91 70.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.289 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -73.44 -52.03 15.12 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . . . -64.79 -21.12 66.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.87 21.02 15.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.307 0.575 . . . . 10.0 111.066 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 14.9 tptt -141.88 124.64 9.42 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.89 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.969 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 59.6 Cg_exo -42.72 -72.66 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.86 3.04 . . . . 10.0 114.241 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -154.54 125.73 7.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.963 0.411 . . . . 10.0 111.844 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.849 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 3.9 m-20 -136.71 119.04 11.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.88 -32.41 66.4 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.185 1.923 . . . . 10.0 112.0 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.6 -35.12 60.62 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.546 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.849 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.2 mm? -72.71 -29.73 63.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.738 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 56' ' ' LEU . 36.5 mt -72.52 -36.7 68.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.167 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.27 -32.75 63.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.73 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.99 -45.24 59.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.276 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -67.58 -34.64 77.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.469 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -40.1 84.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.055 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.6 t -74.76 -39.17 61.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.507 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 33.4 mmtm -66.65 -40.66 88.77 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tp -72.23 -29.79 64.28 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.976 -0.289 . . . . 10.0 111.451 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 66.3 m -73.37 -29.5 62.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.717 0.294 . . . . 10.0 110.317 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.16 -37.16 86.46 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -71.57 -31.49 67.03 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.343 -0.844 . . . . 10.0 109.063 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -63.81 -44.36 93.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.864 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.0 OUTLIER -70.77 -28.09 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 57' ' ' TYR . . . . . 0.497 ' HD1' ' HB3' ' C' ' 16' ' ' PHE . 0.2 OUTLIER -65.38 -40.37 93.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.994 0.426 . . . . 10.0 109.897 178.441 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.498 ' NH2' ' HB3' ' C' ' 61' ' ' GLN . 2.3 mmp_? -78.76 -35.77 44.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.625 -0.716 . . . . 10.0 112.351 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -69.04 -36.38 77.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.143 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.36 -31.62 54.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.36 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.498 ' HB3' ' NH2' ' C' ' 58' ' ' ARG . 35.7 tt0 -69.69 -45.8 67.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 29.0 m -69.02 -28.11 66.27 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.161 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 63' ' ' ASN . . . . . 0.433 ' O ' HG23 ' C' ' 67' ' ' VAL . 1.2 m-20 -68.25 -46.67 69.83 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.964 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 64' ' ' THR . . . . . 0.519 HG21 HG11 ' C' ' 12' ' ' VAL . 28.8 m -62.43 -38.29 89.15 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.833 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 93.3 t -64.63 -46.89 91.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.26 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -68.81 -32.46 72.19 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 67' ' ' VAL . . . . . 0.433 HG23 ' O ' ' C' ' 63' ' ' ASN . 53.9 t -69.6 -55.1 16.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -66.63 -32.39 73.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 0.5 OUTLIER -69.57 -34.46 74.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.644 0.259 . . . . 10.0 111.48 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.89 -49.44 61.94 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.375 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 pt -69.46 -33.17 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -72.31 -29.11 63.53 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.789 0.328 . . . . 10.0 110.953 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.21 66.15 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.161 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.57 -34.21 65.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.657 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -66.77 -47.56 82.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 76' ' ' ILE . . . . . 0.796 ' HA ' ' HD2' ' C' ' 79' ' ' PHE . 1.1 pt -68.54 -22.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.997 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -80.67 -18.74 47.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 10.0 110.31 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -79.63 -24.97 41.54 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 79' ' ' PHE . . . . . 0.796 ' HD2' ' HA ' ' C' ' 76' ' ' ILE . 10.3 m-85 -57.74 126.16 26.16 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.94 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.095 -0.955 . . . . 10.0 111.691 -179.773 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.783 0.325 . . . . 10.0 111.179 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.43 148.91 38.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.99 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 20.4 p -92.83 117.99 67.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.55 139.91 35.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.699 2.266 . . . . 10.0 112.443 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 23.9 t90 -77.36 112.28 13.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.484 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 43.9 m -91.36 131.66 36.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.521 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.24 156.37 20.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.02 -0.61 . . . . 10.0 112.264 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -66.87 -37.3 84.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.702 0.287 . . . . 10.0 111.756 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.66 -22.08 59.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.464 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.88 -37.59 70.13 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.416 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -70.13 -37.89 75.42 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.722 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -69.64 -38.08 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.597 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 38.6 t -66.28 -44.69 82.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.881 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.99 -27.88 66.1 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.331 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -66.8 -37.15 83.97 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.559 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.484 ' O ' HG22 ' D' ' 20' ' ' VAL . 13.2 m-85 -74.92 -36.42 62.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.943 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.15 -39.88 93.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.75 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 25.5 m -70.34 -30.14 67.01 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.993 0.425 . . . . 10.0 110.75 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.55 -32.93 64.16 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.411 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.484 HG22 ' O ' ' D' ' 16' ' ' PHE . 27.2 m -111.49 28.83 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.919 0.39 . . . . 10.0 111.172 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.1 -53.41 55.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.344 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.61 -9.71 59.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.664 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.436 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.9 OUTLIER -71.01 -29.67 65.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.643 179.644 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -62.78 -44.47 96.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.683 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -73.67 -26.03 60.54 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.655 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.52 -31.32 66.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.149 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.436 HG23 ' O ' ' D' ' 23' ' ' LEU . 82.3 t -72.2 -42.19 66.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.433 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 41.3 p -72.59 -24.73 61.13 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.38 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -72.85 -41.74 64.48 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.104 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.42 -24.31 57.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.499 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.423 HD21 ' OD2' ' B' ' 11' ' ' ASP . 4.1 tt -65.77 -51.81 56.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.33 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.1 -31.69 68.11 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.792 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -65.67 -40.34 92.3 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.016 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 52.0 tp -77.73 -24.41 49.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.656 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 35' ' ' ALA . . . . . 0.517 ' HA ' ' NZ ' ' B' ' 15' ' ' LYS . . . -55.21 -44.38 75.3 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.386 0.513 . . . . 10.0 112.386 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.341 . . -98.6 25.86 6.08 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 114.776 1.399 . . . . 10.0 114.776 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -148.86 99.73 3.5 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.735 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.09 -73.51 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.56 0 C-N-CA 124.163 3.242 . . . . 10.0 113.893 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' SER . . . . . 0.83 ' HB3' ' HE2' ' A' ' 68' ' ' PHE . 51.1 m -92.25 124.12 36.09 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.614 ' HB3' ' HB2' ' D' ' 43' ' ' LEU . 7.0 m-20 -138.4 115.32 9.08 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 114.352 1.241 . . . . 10.0 114.352 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.56 -48.24 0.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.63 2.22 . . . . 10.0 111.311 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.47 -42.55 22.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.227 -1.351 . . . . 10.0 113.55 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.614 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.1 mm? -67.66 -38.72 84.17 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.0 OUTLIER -69.08 -30.87 69.27 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.923 0.392 . . . . 10.0 110.3 178.484 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.12 -50.93 68.54 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.902 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.74 -38.2 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.259 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -65.43 -33.91 77.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.256 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -69.25 -44.85 71.11 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.823 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.0 m -72.15 -39.99 68.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 10.0 112.204 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -70.6 -26.75 63.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.587 0.588 . . . . 10.0 112.587 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mt -73.27 -35.37 66.16 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 52' ' ' SER . . . . . 0.514 ' O ' ' HB3' ' D' ' 55' ' ' ASN . 50.0 m -74.37 -28.31 61.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.474 -0.784 . . . . 10.0 110.572 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -66.19 -37.6 85.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.753 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -74.54 -29.08 61.24 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 55' ' ' ASN . . . . . 0.514 ' HB3' ' O ' ' D' ' 52' ' ' SER . 22.5 t-20 -60.4 -46.46 89.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.866 -1.061 . . . . 10.0 110.665 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.0 mm? -74.58 -28.26 60.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.688 0.996 . . . . 10.0 113.688 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 57' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' D' ' 61' ' ' GLN . 14.6 t80 -60.96 -40.36 93.07 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -83.41 -33.92 25.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.663 -0.699 . . . . 10.0 112.607 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -70.18 -53.38 17.37 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.28 83.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 61' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' D' ' 57' ' ' TYR . 55.3 tt0 -62.8 -48.55 78.62 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.676 0.274 . . . . 10.0 111.453 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -69.99 -23.73 63.2 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.233 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.578 ' O ' HG23 ' D' ' 67' ' ' VAL . 0.8 OUTLIER -72.44 -41.32 66.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.649 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 5.8 m -64.93 -38.34 90.65 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.738 0.304 . . . . 10.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.57 -32.39 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.099 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -69.53 -30.81 68.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.677 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.578 HG23 ' O ' ' D' ' 63' ' ' ASN . 41.5 t -69.21 -57.13 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.59 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.46 -40.05 93.08 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.453 ' HA ' ' NZ ' ' D' ' 69' ' ' LYS . 0.3 OUTLIER -64.68 -34.72 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.929 0.344 . . . . 10.0 111.929 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.94 -51.05 23.95 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.867 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 34.9 pt -68.76 -31.11 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.97 -32.87 67.68 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.604 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.83 -32.52 73.85 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.488 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.57 78.54 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.791 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 51.9 mt -67.94 -39.01 80.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.637 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 76' ' ' ILE . . . . . 0.498 ' HA ' ' HD2' ' D' ' 79' ' ' PHE . 93.1 mt -62.46 -35.69 71.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.576 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -76.49 -19.02 58.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.473 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -76.48 -24.73 53.81 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.671 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 79' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' D' ' 76' ' ' ILE . 32.7 m-85 -61.42 125.37 23.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.982 178.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.141 -0.933 . . . . 10.0 111.632 -179.749 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.667 0.27 . . . . 10.0 111.329 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.91 137.01 32.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.208 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.1 p -108.92 110.65 60.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.262 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.37 155.84 45.98 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.715 2.277 . . . . 10.0 112.54 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -68.57 111.77 4.95 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.106 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -141.73 144.89 34.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.89 0.376 . . . . 10.0 111.331 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.8 162.05 26.67 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.444 -0.662 . . . . 10.0 111.444 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -66.92 -32.42 73.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.424 0.631 . . . . 10.0 109.59 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.5 tp -74.99 -34.63 61.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.806 -1.088 . . . . 10.0 110.418 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.58 -27.87 63.43 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.104 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.54 -36.5 71.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.496 -0.774 . . . . 10.0 110.37 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.731 HG11 HG21 ' A' ' 64' ' ' THR . 81.6 t -68.01 -36.42 75.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.412 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.2 m -70.3 -36.37 74.3 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.231 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.09 57.27 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.077 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -65.56 -49.35 69.19 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.566 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.536 ' O ' HG22 ' A' ' 20' ' ' VAL . 20.5 m-85 -71.9 -27.38 62.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.474 -0.784 . . . . 10.0 110.909 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.55 -51.27 63.7 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.687 0.625 . . . . 10.0 112.687 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -70.47 -23.85 62.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.078 0.466 . . . . 10.0 109.878 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.2 -44.62 65.22 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.825 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 28.8 m -111.45 31.56 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.74 -56.23 24.48 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -84.96 -9.3 58.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.894 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.537 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.2 tm? -71.09 -41.57 70.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.63 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 15.1 mm100 -61.56 -41.43 97.36 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.762 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 m -66.96 -30.48 70.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.874 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -73.69 -25.01 60.03 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.367 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 23' ' ' LEU . 50.9 t -69.26 -47.35 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.904 0.383 . . . . 10.0 110.32 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.5 p -69.3 -34.29 74.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.341 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -68.0 -40.69 82.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.392 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.44 -24.3 61.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.278 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 tp -72.9 -38.95 66.74 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.912 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.02 -34.26 73.06 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.874 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -71.35 -35.31 71.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.649 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -71.19 -31.93 68.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.905 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.64 61.36 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.36 3.38 51.1 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.768 0.284 . . . . 10.0 111.768 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 43.2 mmtm -123.13 134.35 25.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.274 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 24.0 Cg_exo -65.61 -67.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.905 2.403 . . . . 10.0 112.13 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 p -137.24 124.88 22.28 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.883 0.373 . . . . 10.0 111.456 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' HB2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -137.91 113.26 9.06 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.782 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.59 -31.7 59.62 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.561 2.174 . . . . 10.0 112.505 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 -48.17 19.6 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.445 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . 3.7 mm? -71.81 -25.77 62.13 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.64 0.607 . . . . 10.0 112.64 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 tp -71.1 -41.01 71.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.858 0.361 . . . . 10.0 110.435 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -31.59 62.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.877 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.05 -46.64 61.65 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.152 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -67.59 -33.86 75.87 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.194 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -65.67 -44.66 85.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.185 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 44.5 t -71.72 -41.49 68.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.657 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 36.6 mmtm -70.04 -28.24 65.31 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 tp -75.22 -31.21 60.81 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.001 0.429 . . . . 10.0 109.963 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.2 m -73.26 -35.39 66.19 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.017 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.469 ' CD ' ' HB3' ' C' ' 38' ' ' PRO . 44.5 mt-10 -67.52 -36.88 81.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.003 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -63.78 -38.06 89.68 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.713 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -63.89 -40.71 97.15 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.213 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.4 mm? -65.72 -30.72 71.43 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.788 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -50.85 64.94 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.632 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -76.91 -28.54 55.35 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.464 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -72.3 -43.3 64.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.806 -0.179 . . . . 10.0 111.253 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.55 79.21 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 120.741 0.305 . . . . 10.0 110.645 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -72.68 -40.34 66.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.451 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.5 p -71.06 -27.52 63.7 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.518 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -75.31 -31.76 60.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.854 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.731 HG21 HG11 ' A' ' 12' ' ' VAL . 3.7 m -69.56 -49.37 54.91 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.323 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.22 -35.35 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.913 0.338 . . . . 10.0 111.913 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -71.07 -48.32 53.25 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.915 0.709 . . . . 10.0 112.915 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 71' ' ' ILE . 11.2 t -77.85 -42.37 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.646 ' CZ ' ' HD3' ' D' ' 41' ' ' PRO . 76.1 t80 -59.54 -34.23 72.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.353 . . . . 10.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 69' ' ' LYS . 2.4 tppt? -73.86 -34.43 64.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.57 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -59.16 -34.76 72.48 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.733 0.301 . . . . 10.0 111.163 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.557 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.4 mt -70.69 -49.01 54.62 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.841 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.573 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 2.2 t70 -57.04 -35.87 69.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.807 -1.088 . . . . 10.0 112.263 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.48 -21.63 41.8 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -49.52 26.54 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.694 0.283 . . . . 10.0 111.71 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 71' ' ' ILE . 3.3 mt -67.85 -35.94 74.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 121.699 0.761 . . . . 10.0 109.389 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.738 ' HA ' ' HD2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -61.42 -34.35 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 114.497 -1.228 . . . . 10.0 111.835 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -83.89 -15.07 49.42 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.212 0.53 . . . . 10.0 110.028 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -84.3 -8.66 58.95 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.411 -0.813 . . . . 10.0 109.529 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.738 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 1.7 m-85 -55.24 -84.54 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.944 -1.026 . . . . 10.0 109.552 177.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.218 -0.896 . . . . 10.0 111.156 179.295 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.694 0.283 . . . . 10.0 111.098 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.16 141.11 28.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.3 p -111.5 108.58 56.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.2 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.83 150.12 49.09 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.679 2.253 . . . . 10.0 112.164 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -67.43 111.82 4.29 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.242 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -137.95 139.83 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.85 165.69 25.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 10.0 112.327 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -67.39 -43.66 80.82 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.885 0.328 . . . . 10.0 111.885 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.462 ' O ' HG12 ' B' ' 12' ' ' VAL . 0.9 OUTLIER -74.98 -28.08 60.41 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.835 0.35 . . . . 10.0 110.839 179.207 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -72.86 -32.82 65.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.701 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 32.4 t70 -70.14 -44.03 69.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.441 -0.799 . . . . 10.0 110.698 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.529 HG23 HD11 ' D' ' 31' ' ' LEU . 2.8 p -61.58 -33.33 56.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.819 0.342 . . . . 10.0 111.784 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -69.49 -31.68 70.11 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.87 -25.68 56.38 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.362 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' B' ' 12' ' ' VAL . 13.1 mmmt -67.77 -45.29 75.3 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.651 -0.499 . . . . 10.0 109.651 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.403 ' HE1' ' CD2' ' D' ' 34' ' ' LEU . 24.8 m-85 -70.66 -28.98 65.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.888 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.58 -53.8 25.23 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 114.406 1.262 . . . . 10.0 114.406 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -71.06 -26.24 62.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.078 0.466 . . . . 10.0 111.212 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.98 -38.13 36.47 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.796 -0.638 . . . . 10.0 113.802 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.795 HG13 HD23 ' B' ' 23' ' ' LEU . 2.5 t -109.86 30.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.319 0.581 . . . . 10.0 110.401 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.48 -51.44 29.06 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.385 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -78.91 -22.09 46.37 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.144 0.424 . . . . 10.0 112.144 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.795 HD23 HG13 ' B' ' 20' ' ' VAL . 17.9 tp -69.2 -33.7 73.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.565 -0.288 . . . . 10.0 111.206 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' B' ' 20' ' ' VAL . 16.3 mm100 -62.02 -40.43 95.68 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.908 0.385 . . . . 10.0 111.336 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.4 m -70.25 -29.41 66.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.392 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.74 -25.5 62.95 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.062 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 23' ' ' LEU . 48.7 t -70.46 -48.47 59.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.216 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 30.8 p -67.26 -32.71 73.9 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.164 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -70.97 -39.04 72.77 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.1 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.35 60.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.174 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 tp -71.52 -39.6 70.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.553 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -70.43 -35.0 73.11 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.686 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -71.41 -30.03 65.6 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.839 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.58 -36.99 71.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.323 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.88 -17.4 59.8 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.817 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.98 2.49 53.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.761 0.315 . . . . 10.0 111.537 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -128.51 142.09 43.65 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.85 -58.23 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.752 2.301 . . . . 10.0 111.557 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 39.5 p -151.19 125.98 9.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.932 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.448 ' CG ' ' HB2' ' B' ' 43' ' ' LEU . 1.2 p30 -136.56 112.93 10.03 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 112.111 0.411 . . . . 10.0 112.111 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.95 -29.32 66.83 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.684 2.256 . . . . 10.0 112.318 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.61 -49.6 15.87 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' CG ' ' B' ' 40' ' ' ASP . 4.0 mm? -72.35 -21.86 61.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 tp -72.76 -42.55 63.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.928 0.394 . . . . 10.0 110.258 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.03 63.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.632 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.76 60.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.914 -0.584 . . . . 10.0 111.105 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -67.24 -33.41 75.28 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.756 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.78 -41.09 96.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.907 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 40.2 t -76.3 -39.63 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.672 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.549 ' HD2' ' CD1' ' B' ' 23' ' ' LEU . 41.0 mmtm -72.5 -34.73 67.84 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 113.035 0.754 . . . . 10.0 113.035 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 52.4 tp -71.84 -33.86 68.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.281 0.562 . . . . 10.0 109.567 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.1 m -72.51 -29.53 63.69 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.241 -0.891 . . . . 10.0 110.66 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' B' ' 49' ' ' SER . 40.9 mt-10 -72.02 -35.96 69.55 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.106 178.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -62.76 -36.57 83.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.487 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.73 -35.34 80.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.865 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -28.29 67.4 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.602 -0.727 . . . . 10.0 111.303 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' B' ' 58' ' ' ARG . 0.2 OUTLIER -71.95 -49.51 36.83 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.627 -0.26 . . . . 10.0 111.526 179.704 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.4 ' HG2' ' CE2' ' B' ' 57' ' ' TYR . 0.5 OUTLIER -74.02 -16.84 61.04 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.336 0.495 . . . . 10.0 112.336 -179.271 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -79.14 -58.58 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.274 0.842 . . . . 10.0 113.274 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.38 -33.65 74.03 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.424 0.154 . . . . 10.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.403 ' O ' HG23 ' B' ' 65' ' ' VAL . 32.8 tt0 -67.13 -43.37 82.58 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-O 120.853 0.358 . . . . 10.0 110.369 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -71.25 -31.68 67.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.836 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.443 ' O ' HG23 ' B' ' 67' ' ' VAL . 84.1 m-20 -72.23 -39.58 68.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.772 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 7.6 p -68.63 -38.77 80.78 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.685 0.254 . . . . 10.0 111.685 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 61' ' ' GLN . 65.5 t -62.84 -35.21 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.051 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.97 -49.09 26.11 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.578 ' O ' HG13 ' B' ' 71' ' ' ILE . 15.0 t -68.32 -46.45 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' PHE . . . . . 0.646 ' HA ' HD12 ' B' ' 71' ' ' ILE . 83.0 t80 -61.63 -32.52 72.66 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -69.79 -34.93 74.4 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.748 -0.205 . . . . 10.0 111.521 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.61 -26.48 64.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.475 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' B' ' 68' ' ' PHE . 46.3 mt -70.17 -50.62 45.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.45 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.53 -33.59 76.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.755 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.72 62.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.318 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.92 75.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.947 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 10.1 mt -66.27 -41.68 89.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.792 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.637 ' HA ' ' HD2' ' B' ' 79' ' ' PHE . 94.2 mt -61.88 -35.92 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.237 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -78.37 -20.89 50.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.313 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -87.7 -7.35 57.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.142 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' PHE . . . . . 0.637 ' HD2' ' HA ' ' B' ' 76' ' ' ILE . 2.2 m-85 -62.32 -84.77 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.352 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.27 -0.872 . . . . 10.0 111.35 179.312 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.809 0.338 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.96 141.02 29.09 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.075 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 18.3 p -121.07 112.1 33.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -77.58 167.44 24.21 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.882 2.388 . . . . 10.0 111.77 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 48.5 t90 -76.43 112.71 13.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.967 0.413 . . . . 10.0 111.475 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -153.73 119.66 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.772 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.6 -173.18 14.15 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.807 -0.711 . . . . 10.0 112.672 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' TYR . . . . . 0.418 ' O ' HG23 ' C' ' 12' ' ' VAL . 85.0 m-85 -66.82 -40.46 88.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.826 0.346 . . . . 10.0 111.395 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 37.3 tp -70.8 -35.99 72.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.195 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.92 -29.2 69.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.576 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.05 -36.25 66.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.936 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.798 HG11 HG21 ' C' ' 64' ' ' THR . 46.7 t -69.93 -37.44 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.878 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -68.73 -38.7 80.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.495 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.78 -23.11 58.46 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.959 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -43.4 87.14 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.437 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.505 ' O ' HG22 ' C' ' 20' ' ' VAL . 30.1 m-85 -76.9 -28.43 55.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.628 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.5 -45.64 89.76 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.01 -0.541 . . . . 10.0 112.061 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -72.38 -27.05 62.14 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.794 0.33 . . . . 10.0 111.287 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.9 -41.5 72.3 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.516 ' O ' ' HG2' ' C' ' 24' ' ' GLN . 27.5 m -108.8 31.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.31 -55.03 40.04 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.119 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -91.89 -7.03 50.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.887 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.533 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.3 tm? -71.04 -40.76 71.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.114 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.58 HE22 ' HE1' ' C' ' 54' ' ' TYR . 15.7 mm100 -61.95 -39.63 92.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.169 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 4.7 m -68.56 -31.6 70.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -73.83 -25.66 60.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.309 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.533 HG23 ' O ' ' C' ' 23' ' ' LEU . 92.9 t -67.39 -48.15 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 120.848 0.356 . . . . 10.0 110.212 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 24.0 p -69.08 -32.92 72.72 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.395 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -68.74 -43.77 75.18 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.647 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.75 -24.3 61.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.894 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 51.5 tp -72.53 -40.37 66.82 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.893 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.45 -30.66 68.62 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.591 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 64.1 mttp -71.38 -45.11 63.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.329 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -70.01 -29.07 66.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.798 0.333 . . . . 10.0 111.016 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.09 -36.89 83.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 10.0 112.135 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.49 25.18 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 1.1 mptp? -125.24 120.96 25.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.335 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.469 ' HB3' ' CD ' ' A' ' 53' ' ' GLU . 95.1 Cg_exo -48.67 -71.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.653 2.902 . . . . 10.0 113.51 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 77.4 p -148.07 124.81 11.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.03 0.443 . . . . 10.0 112.029 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.426 ' HA ' ' HD2' ' C' ' 41' ' ' PRO . 0.5 OUTLIER -137.64 111.7 8.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.794 179.548 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 41' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 29.5 Cg_endo -64.28 -28.71 63.84 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.519 2.146 . . . . 10.0 112.541 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.88 -47.96 19.7 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.068 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.71 -24.48 61.0 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -69.52 -41.9 75.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.789 0.328 . . . . 10.0 110.431 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.07 -29.55 61.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.674 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.74 57.56 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.272 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -67.36 -34.0 76.4 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.276 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.56 -42.06 87.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.953 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -74.45 -38.86 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.859 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 37.4 mmtm -74.11 -26.51 60.38 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.05 -35.86 61.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.806 0.336 . . . . 10.0 110.571 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 12.1 p -74.51 -30.09 61.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.301 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.5 -36.49 84.37 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' TYR . . . . . 0.58 ' HE1' HE22 ' C' ' 24' ' ' GLN . 47.0 t80 -67.8 -37.49 82.06 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.449 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.17 -48.26 82.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.287 -0.87 . . . . 10.0 111.297 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.3 mm? -67.75 -27.76 67.06 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -53.08 61.88 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.628 0.251 . . . . 10.0 111.502 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.648 ' CZ ' ' HB1' ' D' ' 45' ' ' ALA . 0.0 OUTLIER -86.53 -15.56 39.63 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.737 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -78.27 -34.1 49.14 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.99 58.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.266 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -71.97 -35.62 69.59 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.637 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 77.7 p -71.26 -28.65 64.31 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.04 0.448 . . . . 10.0 110.588 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -77.45 -33.22 54.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.648 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 64' ' ' THR . . . . . 0.798 HG21 HG11 ' C' ' 12' ' ' VAL . 82.0 m -69.98 -43.78 70.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.628 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.91 -33.99 65.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.196 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -75.31 -45.94 36.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.54 -49.72 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.3 -37.95 76.07 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.865 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 10.7 mmpt? -72.19 -34.31 68.32 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -61.65 -35.71 78.72 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.816 0.341 . . . . 10.0 110.589 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 45.9 mt -73.32 -41.73 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.233 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -66.48 -34.78 78.7 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.476 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.26 -21.52 46.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.382 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.62 -43.74 46.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.742 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 52.6 mt -73.59 -41.52 55.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 tp -62.64 -30.73 49.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.384 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -85.05 -20.85 29.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.385 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -75.59 -12.57 60.24 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.583 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -52.8 -83.01 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.442 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.27 -0.871 . . . . 10.0 111.474 179.13 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.707 0.289 . . . . 10.0 111.125 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.59 140.64 29.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 19.9 p -111.66 109.0 55.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.237 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.36 153.74 55.92 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.637 2.225 . . . . 10.0 112.033 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -70.04 111.14 5.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.731 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m -143.91 145.54 32.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.583 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.65 172.32 28.03 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.628 -0.796 . . . . 10.0 112.447 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -66.97 -39.82 87.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.851 0.357 . . . . 10.0 111.23 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' D' ' 65' ' ' VAL . 34.8 tp -72.47 -32.37 66.19 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.911 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.14 -31.11 65.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.736 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -69.44 -36.45 76.64 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.96 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -67.05 -38.3 81.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.596 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -69.17 -36.8 77.76 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.902 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.64 58.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.112 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -67.04 -44.88 79.08 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.587 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.533 ' O ' HG22 ' D' ' 20' ' ' VAL . 30.9 m-85 -77.93 -30.06 50.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.319 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.9 -50.76 65.27 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.876 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.6 m -73.18 -24.03 60.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.069 0.462 . . . . 10.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.31 -41.94 76.71 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.82 -0.627 . . . . 10.0 113.137 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.533 HG22 ' O ' ' D' ' 16' ' ' PHE . 34.3 m -111.24 32.4 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.965 0.412 . . . . 10.0 111.242 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.3 -50.74 72.56 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.802 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -88.35 -9.76 51.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.421 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.458 HD13 HG12 ' D' ' 20' ' ' VAL . 1.5 tt -71.47 -40.41 70.29 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.203 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 24' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' D' ' 20' ' ' VAL . 12.3 mm100 -61.86 -37.09 83.21 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.028 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -71.35 -29.31 64.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.669 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -75.82 -26.34 57.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.514 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.455 HG23 ' O ' ' D' ' 23' ' ' LEU . 88.5 t -70.76 -43.32 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.784 0.326 . . . . 10.0 110.512 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -71.97 -32.51 67.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.185 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -71.56 -37.07 71.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.477 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.24 -28.24 63.03 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.221 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.529 HD11 HG23 ' B' ' 12' ' ' VAL . 20.4 tp -73.32 -37.48 66.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.08 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -70.69 -32.24 69.41 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.261 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -70.83 -40.62 72.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.054 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' D' ' 37' ' ' LYS . 5.4 tt -72.13 -23.94 61.39 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.99 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.98 -52.56 14.4 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.92 17.18 24.64 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' D' ' 37' ' ' LYS . 39.5 mmtm -116.03 106.28 49.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.794 -1.187 . . . . 10.0 107.794 177.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -65.35 -77.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.766 2.311 . . . . 10.0 113.647 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -97.2 122.02 39.75 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.765 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.0 OUTLIER -140.29 115.98 7.79 Favored Pre-proline 0 C--O 1.219 -0.518 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -178.247 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 37.1 Cg_endo -68.3 -45.29 2.8 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.892 2.395 . . . . 10.0 111.68 177.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.75 -55.92 4.93 Favored 'General case' 0 C--O 1.227 -0.082 0 CA-C-N 115.178 -0.919 . . . . 10.0 113.058 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.445 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 2.7 mm? -60.29 -33.12 71.9 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.88 1.067 . . . . 10.0 113.88 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.765 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -73.74 -37.21 65.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 10.0 110.792 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 45' ' ' ALA . . . . . 0.648 ' HB1' ' CZ ' ' C' ' 58' ' ' ARG . . . -74.75 -37.77 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.802 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.95 -45.26 82.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.533 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 47' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 42.0 t80 -67.75 -33.21 74.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.097 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.93 -47.97 78.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.547 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -72.23 -41.4 66.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 10.0 112.33 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 50' ' ' LYS . . . . . 0.435 ' HA ' ' HG2' ' D' ' 53' ' ' GLU . 29.9 mmtm -70.9 -25.7 62.9 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 13.4 tp -75.12 -39.23 60.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.688 0.28 . . . . 10.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 52' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' D' ' 55' ' ' ASN . 12.9 p -74.65 -34.31 62.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 53' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' D' ' 50' ' ' LYS . 8.1 pt-20 -70.24 -34.75 73.24 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.706 -0.398 . . . . 10.0 110.311 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -60.78 -34.08 73.95 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 177.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 55' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' D' ' 52' ' ' SER . 11.4 t30 -61.78 -45.74 92.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.917 -1.038 . . . . 10.0 111.695 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' D' ' 56' ' ' LEU . 0.5 OUTLIER -68.79 -26.98 65.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 57' ' ' TYR . . . . . 0.514 ' HD1' ' HB3' ' D' ' 16' ' ' PHE . 3.7 t80 -58.28 -46.22 86.47 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.17 -27.91 25.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.769 -0.651 . . . . 10.0 112.654 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 59' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' D' ' 56' ' ' LEU . 6.7 m-20 -73.21 -49.58 27.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.625 0.25 . . . . 10.0 111.438 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.72 -34.05 76.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.197 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 61' ' ' GLN . . . . . 0.419 ' O ' HG23 ' D' ' 65' ' ' VAL . 33.8 tt0 -69.08 -41.22 77.83 Favored 'General case' 0 CA--C 1.527 0.087 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.578 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 92.6 p -71.7 -30.62 65.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.995 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.491 ' O ' HG23 ' D' ' 67' ' ' VAL . 80.2 m-20 -69.14 -40.24 78.37 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.42 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 2.4 p -67.66 -37.51 82.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.629 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 65' ' ' VAL . . . . . 0.622 ' HA ' HD11 ' D' ' 9' ' ' LEU . 77.2 t -63.59 -36.66 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.022 0.439 . . . . 10.0 110.119 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -71.24 -47.6 56.18 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.709 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 63' ' ' ASN . 61.5 t -65.64 -48.24 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 111.917 0.34 . . . . 10.0 111.917 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -57.61 -37.05 72.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.16 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.628 ' HE2' ' HA ' ' D' ' 69' ' ' LYS . 5.5 mmpt? -71.89 -35.37 69.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.661 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -64.36 -37.68 88.38 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.135 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 43.4 mt -72.69 -41.82 62.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.174 -0.467 . . . . 10.0 110.426 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.39 -40.26 93.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.681 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.25 -23.98 61.29 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.837 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.85 -41.93 74.21 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.045 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 36.9 mt -70.11 -37.32 71.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.586 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 76' ' ' ILE . . . . . 0.73 ' HA ' ' HD2' ' D' ' 79' ' ' PHE . 90.1 mt -63.2 -34.21 65.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.89 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -80.65 -19.06 46.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.995 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -84.62 -10.95 56.88 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.839 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 79' ' ' PHE . . . . . 0.73 ' HD2' ' HA ' ' D' ' 76' ' ' ILE . 5.1 m-85 -61.54 -85.38 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.983 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.192 -0.908 . . . . 10.0 111.603 179.78 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.838 0.352 . . . . 10.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.5 121.72 35.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -105.82 116.08 60.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.89 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.02 156.46 47.48 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.573 2.182 . . . . 10.0 112.158 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -66.79 113.43 4.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.017 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -148.33 153.08 38.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.044 0.45 . . . . 10.0 111.916 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 -179.32 40.58 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.592 -0.731 . . . . 10.0 111.522 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.419 ' O ' HG23 ' A' ' 12' ' ' VAL . 86.6 m-85 -67.31 -31.29 71.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.891 0.346 . . . . 10.0 110.478 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.68 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -70.61 -31.97 69.14 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.949 179.033 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.411 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 34.1 t70 -72.61 -29.41 63.46 Favored 'General case' 0 C--O 1.23 0.047 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.659 178.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 32.9 t70 -74.54 -35.99 63.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.207 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 8' ' ' TYR . 71.2 t -70.12 -40.87 78.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.706 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 p -69.48 -38.1 77.53 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.8 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.74 -23.33 56.03 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.222 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 1.3 tpmt? -64.17 -49.77 70.77 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.598 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' O ' HG22 ' A' ' 20' ' ' VAL . 39.0 m-85 -73.65 -28.35 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.593 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.0 -45.22 89.95 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 112.721 0.638 . . . . 10.0 112.721 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -75.12 -27.26 59.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.715 0.293 . . . . 10.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.73 -36.65 83.08 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.179 -0.534 . . . . 10.0 111.96 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 16' ' ' PHE . 33.3 m -118.44 33.33 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.64 -56.71 16.82 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -81.44 -5.28 57.75 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.348 0.594 . . . . 10.0 110.558 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.52 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.1 tm? -70.17 -38.19 75.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.069 -0.968 . . . . 10.0 111.018 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -62.25 -35.73 79.86 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.754 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -69.78 -34.59 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.591 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.48 -35.48 77.6 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.845 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 23' ' ' LEU . 40.7 t -63.82 -45.33 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.761 0.315 . . . . 10.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 p -71.73 -32.26 67.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.952 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -68.01 -42.82 80.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.83 0.348 . . . . 10.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.8 -24.51 61.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.553 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.19 -41.57 73.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.114 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -70.97 -31.27 67.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.753 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 2.3 mptm? -68.02 -35.52 78.41 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.925 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -25.94 60.44 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.943 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.16 -27.87 66.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.3 4.46 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.956 0.354 . . . . 10.0 111.956 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 13.3 mptt -115.05 125.16 29.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.676 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 17.3 Cg_exo -68.09 -66.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.725 2.284 . . . . 10.0 111.5 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.1 m -126.91 124.34 39.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.634 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.678 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -137.44 95.67 11.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.532 . . . . 10.0 111.252 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 31.9 Cg_endo -64.07 -37.71 41.09 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.739 2.293 . . . . 10.0 112.68 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.69 -42.22 51.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.919 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.678 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.8 mm? -72.48 -28.21 62.76 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.99 -33.8 63.96 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.669 0.271 . . . . 10.0 111.066 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.73 -37.29 70.61 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.369 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.92 67.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.17 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -69.74 -36.44 75.84 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.884 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -65.06 -43.25 92.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.477 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.575 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 42.7 t -71.4 -40.19 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.333 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 23' ' ' LEU . 40.3 mmtm -75.46 -22.84 56.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.6 tp -73.81 -42.33 61.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.931 0.396 . . . . 10.0 110.362 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -69.21 -29.1 66.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.693 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.843 ' HG2' ' HA ' ' C' ' 38' ' ' PRO . 54.2 mt-10 -65.95 -38.47 88.71 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.247 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -67.02 -36.49 82.23 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.649 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -66.1 -45.37 81.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.284 -0.871 . . . . 10.0 110.343 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.02 -28.06 67.08 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.561 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -67.92 -49.17 63.45 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.267 -0.272 . . . . 10.0 110.267 178.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.625 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -74.72 -36.68 62.67 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -179.439 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 86.7 m-20 -70.51 -45.0 66.45 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.505 0.557 . . . . 10.0 112.505 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.53 64.64 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.83 0.307 . . . . 10.0 111.83 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 48.7 tt0 -68.58 -49.51 58.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.9 p -71.18 -23.97 62.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.97 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 2.5 t-20 -71.65 -45.27 62.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.302 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -70.03 -38.82 75.97 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.48 -46.43 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.743 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -42.74 96.7 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 71' ' ' ILE . 19.5 t -73.14 -46.78 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 114.606 1.336 . . . . 10.0 114.606 -178.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.68 ' CZ ' ' HB3' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -59.63 -22.76 62.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.423 -0.511 . . . . 10.0 110.391 179.406 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -73.05 -39.02 66.26 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.476 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -67.09 -34.53 77.84 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.951 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 68' ' ' PHE . 12.2 mt -65.01 -45.03 95.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 108.139 -1.059 . . . . 10.0 108.139 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -62.09 -37.06 83.61 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.773 -1.558 . . . . 10.0 112.302 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.51 -28.56 61.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.583 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.85 -48.34 38.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.069 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.642 HG23 ' OE1' ' D' ' 48' ' ' GLN . 6.9 mt -57.87 -37.69 61.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.148 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mt -60.46 -42.97 93.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.835 -1.075 . . . . 10.0 111.28 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -73.07 -28.31 62.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.59 -0.732 . . . . 10.0 112.5 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -69.15 -23.57 63.98 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.34 -0.985 . . . . 10.0 108.34 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.674 ' HB2' ' HG3' ' D' ' 48' ' ' GLN . 20.0 t80 -91.5 117.7 29.93 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.191 -0.913 . . . . 10.0 109.511 178.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.541 ' HG2' ' NZ ' ' C' ' 66' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.462 -0.78 . . . . 10.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.801 0.334 . . . . 10.0 111.083 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.8 123.38 34.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.8 p -107.62 112.88 62.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.268 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.85 152.8 63.99 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.737 2.292 . . . . 10.0 112.135 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -69.25 111.31 5.09 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.15 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -148.47 151.4 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.436 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.406 ' H ' ' HB3' ' B' ' 10' ' ' ASP . . . -168.93 -171.12 34.37 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.388 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.415 ' O ' HG23 ' B' ' 12' ' ' VAL . 82.5 m-85 -67.16 -36.23 81.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.658 0.266 . . . . 10.0 111.299 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.61 ' H ' HD23 ' B' ' 9' ' ' LEU . 1.4 pt? -73.15 -33.72 65.66 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.803 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.406 ' HB3' ' H ' ' B' ' 7' ' ' GLY . 35.4 t70 -71.12 -31.24 67.5 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.846 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' B' ' 15' ' ' LYS . 38.1 t70 -70.37 -36.37 74.1 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.529 -0.759 . . . . 10.0 110.337 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 8' ' ' TYR . 86.1 t -71.22 -32.81 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.554 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' SER . . . . . 0.606 ' HA ' HE21 ' B' ' 61' ' ' GLN . 58.8 m -67.15 -46.41 74.14 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.213 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.76 -22.38 56.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.26 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -58.31 -54.99 40.73 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.172 -179.531 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.68 ' HE1' HD22 ' D' ' 34' ' ' LEU . 52.1 m-85 -77.41 -27.99 52.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.358 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.91 -52.2 52.02 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 114.073 1.138 . . . . 10.0 114.073 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 14.0 m -62.96 -23.66 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.31 0.576 . . . . 10.0 110.478 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.77 -43.95 16.6 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.576 -0.738 . . . . 10.0 114.595 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.542 HG22 ' O ' ' B' ' 16' ' ' PHE . 29.5 m -108.59 27.87 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.189 0.518 . . . . 10.0 110.955 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.35 -50.17 72.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.412 -0.813 . . . . 10.0 112.586 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -76.72 -23.78 53.08 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.616 ' O ' HG23 ' B' ' 27' ' ' VAL 0.284 3.3 pp -71.96 -21.45 61.59 Favored 'General case' 0 C--O 1.226 -0.14 0 N-CA-C 113.138 0.792 . . . . 10.0 113.138 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.98 -37.81 88.61 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -73.6 -30.86 63.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.846 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.34 -31.23 69.54 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.96 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 23' ' ' LEU . 60.2 t -67.96 -48.01 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 CA-C-O 120.816 0.341 . . . . 10.0 110.395 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -67.96 -29.39 68.43 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.607 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -71.9 -43.5 65.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.911 0.386 . . . . 10.0 110.436 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.01 -24.25 61.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.491 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.47 -43.26 77.35 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.854 -0.425 . . . . 10.0 109.854 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.86 -31.14 67.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.398 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -66.62 -33.35 75.47 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.878 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.14 -31.7 69.35 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.536 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.87 -15.55 60.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.832 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.96 0.11 19.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.75 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.3 mmtm -124.04 128.57 25.04 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.4 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 21.8 Cg_exo -66.8 -61.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.771 2.314 . . . . 10.0 110.89 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.9 m -131.41 124.39 30.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.855 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.691 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -136.84 91.05 15.66 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.686 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.1 -35.7 51.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.574 2.183 . . . . 10.0 112.692 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.25 -42.58 54.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.628 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.691 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.0 mm? -72.63 -23.6 60.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.933 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.2 tp -74.53 -33.63 62.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.563 -0.289 . . . . 10.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.05 -35.41 66.72 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.507 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.72 66.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.861 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -72.43 -36.27 68.54 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.601 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.12 -47.83 75.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.73 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 45.3 t -67.63 -38.82 84.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.427 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' B' ' 53' ' ' GLU . 42.9 mmtm -80.35 -22.77 41.09 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 40.1 tp -69.17 -44.93 71.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.336 0.589 . . . . 10.0 109.455 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.0 p -71.92 -27.59 62.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.091 -0.958 . . . . 10.0 110.288 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 50' ' ' LYS . 19.8 mt-10 -64.7 -36.58 84.76 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.931 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.01 -38.64 91.61 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -67.4 -33.13 74.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.111 -0.95 . . . . 10.0 109.56 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -63.59 -35.7 81.38 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.79 179.389 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 57' ' ' TYR . . . . . 0.573 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 0.4 OUTLIER -70.49 -46.44 63.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.595 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' B' ' 58' ' ' ARG . 0.4 OUTLIER -75.61 -38.86 58.68 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -178.563 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -70.92 -53.2 15.89 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.88 71.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.536 0.198 . . . . 10.0 111.536 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.606 HE21 ' HA ' ' B' ' 13' ' ' SER . 40.3 tt0 -67.55 -45.11 76.6 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.572 -0.285 . . . . 10.0 110.973 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 54.2 p -70.6 -23.1 62.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.71 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.488 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 26.0 m-20 -73.54 -49.45 26.42 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 116.632 -0.258 . . . . 10.0 111.028 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 8.5 p -69.93 -42.26 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.302 0.852 . . . . 10.0 113.302 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.61 -41.46 90.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 112.009 0.374 . . . . 10.0 112.009 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -70.71 -33.73 71.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.609 ' O ' HG13 ' B' ' 71' ' ' ILE . 78.4 t -71.42 -52.67 24.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 112.565 0.579 . . . . 10.0 112.565 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' PHE . . . . . 0.739 ' HA ' HD12 ' B' ' 71' ' ' ILE . 0.0 OUTLIER -58.7 -28.47 65.83 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 123.195 0.309 . . . . 10.0 111.142 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -67.88 -39.66 83.67 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.523 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.462 ' HB2' HH22 ' A' ' 80' ' ' ARG . 53.8 m-20 -76.99 -26.2 53.6 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.321 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' B' ' 68' ' ' PHE . 58.4 mt -68.22 -44.48 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.092 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -69.46 -35.73 75.91 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.793 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.36 71.08 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.483 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.04 -37.81 64.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.904 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 50.5 mt -66.56 -36.11 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.808 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.39 -35.74 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.704 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -72.56 -33.84 67.07 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.061 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -71.6 -25.3 62.11 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.784 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -88.1 126.76 35.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.032 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.091 -0.957 . . . . 10.0 111.674 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.758 0.313 . . . . 10.0 111.106 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.03 125.89 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 19.0 p -114.89 114.62 43.95 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.825 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.28 160.75 32.49 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.857 2.371 . . . . 10.0 111.938 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -68.52 110.6 4.27 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.031 0.443 . . . . 10.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -146.71 152.92 39.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.655 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.27 -168.84 34.99 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.718 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -67.01 -37.57 84.41 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 111.751 0.278 . . . . 10.0 111.751 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' C' ' 68' ' ' PHE . 0.8 OUTLIER -72.05 -30.17 64.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.617 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.34 -28.47 63.07 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.486 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.37 -35.92 63.55 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.674 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.84 -41.1 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.059 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 39.1 p -70.02 -38.48 75.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.101 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.01 -23.0 58.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.783 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -64.46 -47.48 78.86 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.016 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.621 ' O ' HG22 ' C' ' 20' ' ' VAL . 37.7 m-85 -75.69 -28.67 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.785 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.61 -43.64 96.31 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -73.28 -28.63 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.885 0.374 . . . . 10.0 111.121 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.86 -37.76 56.76 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.382 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.621 HG22 ' O ' ' C' ' 16' ' ' PHE . 32.9 m -110.13 31.58 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.09 -57.09 13.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.501 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -87.89 -1.71 58.15 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.169 0.509 . . . . 10.0 110.593 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.545 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.1 tm? -71.06 -40.74 71.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.93 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.94 -31.9 73.09 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.573 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.1 m -72.86 -32.72 65.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -72.37 -34.03 67.67 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.614 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.449 HG23 ' O ' ' C' ' 23' ' ' LEU . 57.6 t -65.77 -43.64 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.832 0.349 . . . . 10.0 111.059 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -73.22 -31.06 63.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.543 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLU . . . . . 0.449 ' O ' ' HD3' ' C' ' 33' ' ' LYS . 26.6 tt0 -68.12 -42.24 80.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.565 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.82 61.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.257 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 tp -71.62 -42.03 68.16 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.209 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.65 -31.09 67.89 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.683 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' C' ' 37' ' ' LYS . 2.3 mptm? -66.46 -42.91 86.88 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.646 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 48.4 tp -75.34 -25.04 57.45 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.38 -37.77 26.16 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.455 0.909 . . . . 10.0 113.455 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.47 22.31 5.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' C' ' 33' ' ' LYS . 4.1 mptp? -106.6 116.72 58.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.583 0.23 . . . . 10.0 111.6 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.843 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 49.8 Cg_exo -40.77 -73.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.501 3.467 . . . . 10.0 114.082 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 39' ' ' SER . . . . . 0.425 ' H ' ' HB2' ' C' ' 38' ' ' PRO . 3.7 p -150.07 125.41 10.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.903 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.678 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.1 OUTLIER -131.46 98.76 17.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.204 -179.625 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.07 -34.36 58.48 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.921 2.414 . . . . 10.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.2 -41.84 48.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.431 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.678 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.9 mm? -72.48 -26.01 61.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.13 -0.486 . . . . 10.0 112.075 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.49 -34.25 63.04 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.687 0.279 . . . . 10.0 110.721 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -37.96 68.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.191 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.97 -33.93 66.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.124 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -68.83 -40.73 79.29 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.323 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -65.06 -41.91 94.71 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 123.511 0.507 . . . . 10.0 112.125 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.4 t -67.38 -45.88 74.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -76.33 -17.39 59.44 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.119 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -43.21 57.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.791 0.329 . . . . 10.0 110.66 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -71.82 -28.56 63.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.067 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.67 -37.16 83.06 Favored 'General case' 0 N--CA 1.461 0.082 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -68.64 -38.4 80.45 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -55.07 33.03 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.057 -0.974 . . . . 10.0 111.283 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.1 mm? -65.7 -28.01 68.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 10.0 112.214 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 57' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' C' ' 58' ' ' ARG . 0.6 OUTLIER -64.39 -50.98 65.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.591 0.234 . . . . 10.0 111.056 179.13 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.466 ' HE ' ' HA ' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -79.79 -29.98 40.48 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.059 0.762 . . . . 10.0 113.059 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -72.81 -41.51 64.82 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.68 -32.36 57.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.145 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.557 ' O ' HG23 ' C' ' 65' ' ' VAL . 9.0 tt0 -64.46 -47.11 80.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.971 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 62' ' ' SER . . . . . 0.487 ' HB2' ' OE1' ' D' ' 48' ' ' GLN . 79.9 p -70.9 -27.26 63.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.605 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -48.38 66.81 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.021 0.438 . . . . 10.0 110.723 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 64' ' ' THR . . . . . 0.603 ' O ' ' HB3' ' C' ' 68' ' ' PHE . 12.9 m -66.43 -37.61 85.56 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.699 -0.682 . . . . 10.0 111.741 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.764 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 90.9 t -65.06 -63.28 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 66' ' ' LYS . . . . . 0.541 ' NZ ' ' HG2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -63.22 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.291 1.219 . . . . 10.0 114.291 -177.649 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.57 -36.33 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 68' ' ' PHE . . . . . 0.603 ' HB3' ' O ' ' C' ' 64' ' ' THR . 0.0 OUTLIER -70.33 -21.47 62.91 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.992 0.425 . . . . 10.0 109.882 178.117 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.764 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 66.1 mmtt -70.98 -36.06 72.35 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.307 178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -66.81 -32.24 73.39 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.681 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 71' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' C' ' 68' ' ' PHE . 55.2 mt -67.32 -44.99 86.9 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.261 178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.32 -31.77 70.44 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.426 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.89 -29.64 65.78 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.26 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.69 -35.53 60.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.83 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.96 -42.97 89.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.251 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pp -72.82 -22.36 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.532 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -76.53 -31.28 57.53 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.024 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -75.16 -24.4 57.92 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.945 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 79' ' ' PHE . . . . . 0.409 ' CE2' HG11 ' D' ' 67' ' ' VAL . 3.9 t80 -84.46 113.49 21.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.24 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.147 -0.93 . . . . 10.0 111.812 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.788 0.328 . . . . 10.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.69 125.8 36.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 23.2 p -107.44 113.5 61.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.195 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.69 154.49 64.04 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.671 2.247 . . . . 10.0 112.131 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -70.1 111.15 5.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m -149.33 152.7 36.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.768 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.43 -170.46 35.52 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.825 -0.702 . . . . 10.0 112.214 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' TYR . . . . . 0.401 ' O ' HG23 ' D' ' 12' ' ' VAL . 81.3 m-85 -66.97 -34.34 77.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.708 0.29 . . . . 10.0 111.32 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.632 ' H ' HD23 ' D' ' 9' ' ' LEU . 1.1 pt? -73.32 -32.08 64.38 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.013 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -72.02 -29.74 64.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.535 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.64 -39.65 61.97 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.949 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.401 HG23 ' O ' ' D' ' 8' ' ' TYR . 89.6 t -65.52 -43.26 94.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.834 0.349 . . . . 10.0 111.006 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 48.5 p -68.18 -34.59 76.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.064 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.17 -27.98 59.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.423 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -62.98 -46.31 88.29 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.858 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.629 ' O ' HG22 ' D' ' 20' ' ' VAL . 43.8 m-85 -77.52 -29.19 52.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.236 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.54 -51.15 61.99 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -75.06 -23.82 58.14 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.723 0.297 . . . . 10.0 111.458 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.15 82.12 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.81 -0.709 . . . . 10.0 111.949 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.672 ' HB ' ' HB3' ' D' ' 23' ' ' LEU . 34.2 m -116.01 33.46 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 121.06 0.457 . . . . 10.0 111.298 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.93 -57.05 14.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.674 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -80.71 -5.6 57.27 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.167 0.508 . . . . 10.0 110.849 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.672 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 1.8 tm? -71.26 -36.97 71.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.667 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -65.38 -33.06 75.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.16 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -71.84 -34.02 68.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.44 -31.17 68.24 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.679 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.451 HG23 ' O ' ' D' ' 23' ' ' LEU . 58.7 t -69.14 -43.55 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 22.3 p -72.12 -29.92 64.55 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.539 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 29' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' D' ' 33' ' ' LYS . 21.1 tt0 -71.94 -41.84 67.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.75 -28.72 67.06 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.665 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.03 -38.44 75.87 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.361 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.67 -32.84 68.3 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.61 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 33' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' D' ' 37' ' ' LYS . 32.6 mmtp -65.71 -38.11 88.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.498 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.68 HD22 ' HE1' ' B' ' 16' ' ' PHE . 1.9 mt -65.65 -25.05 67.18 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.04 -51.44 42.25 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.01 18.05 21.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.973 0.731 . . . . 10.0 112.973 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 37' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' D' ' 33' ' ' LYS . 13.6 mptt -117.75 103.82 50.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.381 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.85 -68.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.072 2.514 . . . . 10.0 112.877 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 39' ' ' SER . . . . . 0.403 ' HB2' HD22 ' A' ' 9' ' ' LEU . 15.0 m -111.19 128.58 55.96 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 110.389 -0.226 . . . . 10.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.862 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 51.9 m-20 -136.02 105.9 9.61 Favored Pre-proline 0 C--O 1.219 -0.545 0 N-CA-C 114.264 1.209 . . . . 10.0 114.264 -177.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' D' ' 40' ' ' ASP . 23.0 Cg_endo -65.55 -45.14 7.32 Favored 'Trans proline' 0 C--N 1.33 -0.397 0 C-N-CA 121.979 1.786 . . . . 10.0 111.347 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.42 -56.78 4.18 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 113.509 0.929 . . . . 10.0 113.509 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 1.6 mm? -62.56 -33.25 74.58 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.587 1.328 . . . . 10.0 114.587 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.862 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.0 OUTLIER -69.13 -42.45 75.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.954 0.353 . . . . 10.0 111.954 -179.355 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.43 -31.43 62.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.455 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.49 -40.96 69.86 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -68.68 -32.91 73.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.556 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 48' ' ' GLN . . . . . 0.674 ' HG3' ' HB2' ' A' ' 79' ' ' PHE . 18.8 tt0 -63.16 -42.89 99.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.252 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 42.0 t -75.35 -38.26 60.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.796 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 50' ' ' LYS . . . . . 0.509 ' HD2' ' CD2' ' D' ' 23' ' ' LEU . 34.7 mmtm -74.58 -31.49 62.08 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.484 HD23 ' CZ ' ' A' ' 79' ' ' PHE . 42.1 tp -73.35 -42.03 62.75 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.652 0.263 . . . . 10.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 89.4 p -68.64 -28.6 67.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.425 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.1 -36.3 83.87 Favored 'General case' 0 C--N 1.338 0.075 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -65.79 -34.05 77.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.001 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.12 -54.4 45.0 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.929 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' D' ' 56' ' ' LEU . 2.8 mm? -69.55 -26.88 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.55 0.944 . . . . 10.0 113.55 -179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 57' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' D' ' 61' ' ' GLN . 9.1 t80 -58.98 -45.88 89.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 177.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -36.21 25.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.498 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.5 -51.51 50.19 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.09 -33.38 73.42 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.887 0.329 . . . . 10.0 111.887 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 61' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' D' ' 57' ' ' TYR . 56.5 tt0 -63.49 -54.0 43.2 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.666 -0.243 . . . . 10.0 110.966 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 83.4 p -70.94 -22.1 62.26 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.493 ' O ' HG23 ' D' ' 67' ' ' VAL . 17.9 t-20 -69.63 -52.52 25.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.077 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.68 -37.14 86.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.267 -0.424 . . . . 10.0 112.1 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 65' ' ' VAL . . . . . 0.533 ' O ' ' HB2' ' D' ' 69' ' ' LYS . 96.2 t -62.96 -37.9 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.829 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -34.19 63.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.375 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.493 HG23 ' O ' ' D' ' 63' ' ' ASN . 93.6 t -70.11 -52.79 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.728 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 68' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' D' ' 9' ' ' LEU . 0.2 OUTLIER -64.8 -23.89 67.38 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.781 0.324 . . . . 10.0 111.398 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' D' ' 65' ' ' VAL . 15.8 tptt -69.79 -35.36 74.8 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.846 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -77.49 -29.04 52.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.625 -0.716 . . . . 10.0 111.258 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 71' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' D' ' 68' ' ' PHE . 79.1 mt -67.14 -44.11 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.443 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.2 -36.36 81.56 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.176 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.63 67.27 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.488 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.91 -36.94 64.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.059 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 62.5 mt -68.07 -35.5 71.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.668 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 90.0 mt -69.87 -33.34 55.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.507 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -73.39 -31.03 63.66 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.251 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -73.76 -25.67 60.28 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.974 0.416 . . . . 10.0 110.503 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -88.86 125.46 34.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.566 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.152 -0.928 . . . . 10.0 111.556 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.769 0.318 . . . . 10.0 111.083 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.73 138.23 31.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.575 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.508 ' HB ' ' HB2' ' D' ' 36' ' ' ALA . 14.0 p -98.96 117.74 63.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.453 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.13 140.28 30.83 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.692 2.261 . . . . 10.0 112.243 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.648 ' CZ2' HD23 ' B' ' 23' ' ' LEU . 0.6 OUTLIER -73.79 111.48 8.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.065 -179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -149.89 154.33 38.16 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.82 171.0 35.7 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 111.197 -0.761 . . . . 10.0 111.197 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -66.74 -46.03 76.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.159 0.48 . . . . 10.0 111.626 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.548 HD22 ' HE2' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -74.62 -29.56 61.34 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.713 0.292 . . . . 10.0 110.627 179.317 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.11 -35.74 69.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.02 0.438 . . . . 10.0 109.898 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.599 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 28.1 t70 -73.09 -41.78 63.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.424 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.415 HG23 HD22 ' C' ' 31' ' ' LEU . 2.8 p -66.19 -28.22 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 111.763 0.283 . . . . 10.0 111.763 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -71.61 -37.61 70.92 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.26 -23.5 59.14 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.147 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HZ1' ' HB3' ' C' ' 35' ' ' ALA . 5.2 mmmp? -63.35 -47.02 83.86 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.551 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' HD1' ' A' ' 57' ' ' TYR . 43.1 m-85 -73.62 -30.57 63.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.203 -0.908 . . . . 10.0 111.355 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.67 -51.81 56.5 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 m -73.4 -23.35 60.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.109 0.481 . . . . 10.0 109.759 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.44 -52.11 42.66 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.35 -0.841 . . . . 10.0 113.241 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 17.3 m -112.73 32.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.2 -55.45 31.95 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.555 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -72.57 -18.57 61.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.218 0.532 . . . . 10.0 110.454 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.49 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.0 tm? -70.91 -34.33 71.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.348 -0.842 . . . . 10.0 110.795 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 87.0 mm-40 -61.04 -47.73 85.04 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.927 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -68.22 -26.39 65.68 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.567 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -70.91 -30.37 66.69 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.648 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 23' ' ' LEU . 67.7 t -69.5 -45.17 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-O 120.832 0.348 . . . . 10.0 110.257 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -73.36 -24.84 60.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.623 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -76.29 -39.46 54.14 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.889 0.376 . . . . 10.0 110.489 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.65 -24.49 58.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.406 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.67 -36.61 67.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.334 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.56 -37.59 74.01 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.651 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -71.13 -33.44 70.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.098 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -35.26 73.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.321 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.78 -25.4 61.16 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.93 0.12 57.48 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.89 0.33 . . . . 10.0 111.89 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.9 mmtm -125.74 142.7 42.85 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 34.1 Cg_exo -62.84 -65.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.648 2.232 . . . . 10.0 111.846 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 p -150.11 125.51 10.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.047 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.867 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 1.1 m-20 -128.13 114.84 20.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 20.7 Cg_endo -63.63 -34.72 62.24 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.306 2.004 . . . . 10.0 111.72 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.83 56.21 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.906 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.867 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 4.1 mm? -72.01 -29.08 63.84 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.0 -32.1 56.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.742 -0.208 . . . . 10.0 111.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.04 -37.03 64.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.915 0.388 . . . . 10.0 110.67 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.42 -39.95 64.63 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.856 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -69.87 -33.44 72.24 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.108 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -64.13 -43.18 96.08 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.698 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.0 t -70.98 -38.59 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.934 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 68.1 mmtt -74.05 -23.2 59.34 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 51' ' ' LEU . 9.0 mt -74.44 -38.76 62.91 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.827 0.346 . . . . 10.0 110.665 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.4 p -71.34 -29.61 65.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.84 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.509 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 49.9 mt-10 -68.76 -36.57 78.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.933 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -69.98 -36.23 75.02 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.673 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 15.3 t30 -65.29 -35.25 80.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.221 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD11 HD11 ' C' ' 44' ' ' LEU . 0.7 OUTLIER -73.57 -31.5 63.65 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.502 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.477 ' HD1' ' HB3' ' A' ' 16' ' ' PHE . 2.4 t80 -66.54 -48.69 68.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.094 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 58' ' ' ARG . 0.9 OUTLIER -73.28 -28.02 61.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.686 -179.714 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -76.12 -44.8 36.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.798 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.28 -31.28 71.49 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.824 0.345 . . . . 10.0 111.142 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -71.14 -44.8 64.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.796 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.9 p -71.39 -26.83 62.94 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.078 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -73.71 -41.93 61.91 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.314 -0.403 . . . . 10.0 112.042 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.1 p -67.97 -38.59 82.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.2 t -71.27 -28.96 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 10.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -72.99 -47.53 44.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -72.54 -39.43 61.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.92 0.391 . . . . 10.0 111.386 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.705 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 10.3 t80 -65.09 -45.3 85.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.705 -0.679 . . . . 10.0 111.707 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HA ' ' HD3' ' A' ' 69' ' ' LYS . 18.7 mmtp -67.95 -33.79 75.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.524 0.564 . . . . 10.0 112.524 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.86 -54.06 51.17 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.939 0.4 . . . . 10.0 111.038 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -67.61 -37.45 78.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.179 -179.405 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.11 -36.05 83.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.756 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.28 75.55 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.51 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.15 81.34 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 10.0 110.718 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.555 HG23 ' OE1' ' D' ' 48' ' ' GLN . 25.8 mt -66.45 -36.89 78.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.549 0.69 . . . . 10.0 109.496 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.644 HD12 HD22 ' D' ' 44' ' ' LEU . 0.9 OUTLIER -55.43 -47.15 78.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 114.508 -1.224 . . . . 10.0 112.389 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.406 ' N ' HG22 ' A' ' 76' ' ' ILE . 3.6 mp0 -81.23 -10.26 59.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.652 -0.419 . . . . 10.0 112.059 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -70.39 -24.0 62.87 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.799 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 25.8 m-85 -69.41 87.76 0.46 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.201 -1.363 . . . . 10.0 110.279 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' HG22 ' B' ' 67' ' ' VAL . 13.4 ptm180 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.069 -0.967 . . . . 10.0 111.957 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.733 0.302 . . . . 10.0 110.919 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.87 141.72 29.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.6 p -106.07 113.4 63.63 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.35 142.97 42.25 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.729 2.286 . . . . 10.0 112.407 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -70.85 111.55 6.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.13 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -141.28 149.35 41.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.947 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.51 167.01 28.53 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.98 -0.628 . . . . 10.0 112.188 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -66.96 -48.83 67.33 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -75.09 -26.1 59.04 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.764 0.316 . . . . 10.0 111.058 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -72.53 -38.36 68.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.124 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.445 ' OD2' HD21 ' D' ' 31' ' ' LEU . 20.5 t70 -73.35 -36.25 66.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.839 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.9 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 0.9 OUTLIER -67.84 -28.1 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.028 0.442 . . . . 10.0 111.242 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 70.7 m -74.23 -36.84 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.33 -33.58 61.14 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.461 -0.79 . . . . 10.0 112.295 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LYS . . . . . 0.905 ' HZ3' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -64.38 -39.0 93.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.729 0.299 . . . . 10.0 110.969 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.459 ' O ' HG22 ' B' ' 20' ' ' VAL . 23.0 m-85 -75.33 -29.95 60.13 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.373 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -65.81 -54.04 32.13 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.943 1.09 . . . . 10.0 113.943 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -71.67 -22.39 61.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.253 0.549 . . . . 10.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.55 -51.71 34.91 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 115.24 -0.891 . . . . 10.0 115.083 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' B' ' 24' ' ' GLN . 22.7 m -110.74 28.0 2.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 120.968 0.413 . . . . 10.0 111.781 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.6 -39.04 93.36 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.066 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -72.92 -35.95 67.15 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.648 HD23 ' CZ2' ' A' ' 5' ' ' TRP 0.277 2.2 pp -71.63 -21.77 61.78 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' B' ' 20' ' ' VAL . 86.2 mm-40 -58.86 -48.28 81.91 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 10.0 110.267 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.2 t -72.99 -25.95 61.17 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.538 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' B' ' 23' ' ' LEU . 18.7 mm-40 -70.69 -29.42 65.71 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.444 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 23' ' ' LEU . 87.4 t -71.48 -45.62 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 31.3 p -71.39 -24.95 62.16 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.151 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.63 -38.45 54.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.231 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.88 -25.31 58.86 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.47 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.99 -36.02 66.99 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.846 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.36 -38.96 78.34 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.07 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -71.44 -26.4 62.71 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.065 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -40.21 69.07 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.552 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.74 -19.46 59.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.763 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.15 -10.46 49.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.774 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -122.19 148.03 50.95 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.205 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -65.33 -59.92 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.702 2.268 . . . . 10.0 111.426 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p -157.97 125.82 5.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.702 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.434 ' HA ' ' HD2' ' B' ' 41' ' ' PRO . 0.5 OUTLIER -135.26 112.25 11.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.249 179.476 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 26.2 Cg_endo -63.61 -29.32 69.96 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.815 2.343 . . . . 10.0 112.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.0 -43.63 61.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.69 -26.83 61.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.594 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.81 -32.08 61.88 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.541 -0.3 . . . . 10.0 111.332 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.91 -36.6 64.74 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.361 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.68 -39.48 64.37 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.632 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -70.37 -32.68 70.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.855 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -61.91 -49.46 76.1 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.344 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.0 p -69.41 -37.81 77.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.277 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' B' ' 50' ' ' LYS . 67.7 mmtt -71.99 -27.36 62.7 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.15 -39.86 71.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.511 . . . . 10.0 109.712 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -72.7 -28.41 62.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.437 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.88 -35.98 77.54 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.161 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.89 -34.57 76.92 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.724 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 64.0 t30 -66.36 -28.83 68.96 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.364 -0.835 . . . . 10.0 109.749 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.477 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.6 OUTLIER -66.22 -43.32 87.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.673 179.659 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.26 -52.22 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.738 -0.664 . . . . 10.0 112.522 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 58' ' ' ARG . 1.0 OUTLIER -71.19 -23.97 62.14 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -178.89 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.724 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 1.1 t-20 -78.97 -61.7 1.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.901 1.074 . . . . 10.0 113.901 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.12 -31.23 68.75 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.541 0.21 . . . . 10.0 110.543 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.08 -50.08 67.55 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.785 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 95.8 p -70.68 -27.47 64.04 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.967 0.413 . . . . 10.0 111.177 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.799 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 65.4 m-20 -73.55 -39.14 64.94 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.401 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -71.01 -40.17 71.97 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' B' ' 69' ' ' LYS . 98.3 t -65.22 -30.52 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.595 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -67.09 -45.13 78.2 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.579 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.423 HG22 ' C ' ' A' ' 80' ' ' ARG . 21.2 t -69.82 -44.63 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-O 120.787 0.327 . . . . 10.0 111.498 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -63.51 -50.71 68.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 10.0 112.372 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' B' ' 69' ' ' LYS . 0.2 OUTLIER -64.57 -33.9 77.0 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 113.192 0.812 . . . . 10.0 113.192 -179.1 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.87 -57.45 12.73 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.874 0.368 . . . . 10.0 111.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.41 ' H ' HG13 ' B' ' 71' ' ' ILE . 1.8 pp -71.33 -26.97 27.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.467 ' HA ' HD12 ' B' ' 75' ' ' ILE . 32.7 t70 -69.64 -34.71 74.42 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 10.0 110.262 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.36 68.18 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.493 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.72 84.81 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.828 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' B' ' 72' ' ' ASP . 4.4 mt -71.8 -38.21 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.784 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.45 -41.19 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.73 -17.72 59.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.086 -0.507 . . . . 10.0 110.709 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -75.07 -27.04 59.79 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.713 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -74.74 97.98 3.36 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.684 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.124 -0.941 . . . . 10.0 111.53 -179.785 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.667 0.27 . . . . 10.0 111.066 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.22 137.37 32.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 22.0 p -102.48 118.24 59.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.74 157.19 44.03 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.836 2.357 . . . . 10.0 112.776 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -75.86 111.31 11.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.632 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -137.14 148.36 46.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 10.0 111.397 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.03 165.09 25.84 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.309 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.93 -44.84 79.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.693 0.282 . . . . 10.0 111.623 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' C' ' 10' ' ' ASP . 0.4 OUTLIER -74.91 -29.34 60.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.846 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ASP . . . . . 0.431 ' N ' ' HG ' ' C' ' 9' ' ' LEU . 26.7 t70 -71.76 -33.42 68.62 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.504 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' C' ' 15' ' ' LYS . 26.8 t70 -72.74 -44.87 61.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.093 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.14 -27.95 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 112.057 0.392 . . . . 10.0 112.057 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m -69.84 -37.85 76.32 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.19 -23.98 61.35 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.803 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' C' ' 11' ' ' ASP . 3.2 mmmp? -65.29 -43.26 91.71 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.534 ' HB3' ' CD1' ' C' ' 57' ' ' TYR . 31.0 m-85 -77.39 -33.06 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.448 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -64.82 -45.07 87.76 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.533 0.568 . . . . 10.0 112.533 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -79.4 -25.75 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 10.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.29 -47.91 55.44 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.722 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.52 HG22 ' O ' ' C' ' 16' ' ' PHE . 30.4 m -109.19 31.84 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.16 -55.94 26.5 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.241 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -77.97 -14.1 59.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.574 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.517 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.3 tm? -71.14 -35.2 71.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.49 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' C' ' 20' ' ' VAL . 17.2 mm100 -61.01 -47.66 85.43 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.755 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -68.13 -26.01 65.58 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.412 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -71.44 -29.31 64.72 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.564 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 23' ' ' LEU . 96.1 t -70.67 -45.64 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.934 0.397 . . . . 10.0 110.304 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 28.4 p -72.75 -25.78 61.32 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.507 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -75.38 -38.71 59.81 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.547 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.25 -24.24 60.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.506 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' LEU . . . . . 0.415 HD22 HG23 ' A' ' 12' ' ' VAL . 8.9 mt -72.1 -36.53 69.51 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.069 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.53 -39.39 81.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.299 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -71.59 -40.62 69.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.784 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.12 -52.78 53.33 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ALA . . . . . 0.608 ' HB3' ' HZ1' ' A' ' 15' ' ' LYS . . . -68.97 -19.34 64.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -178.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.45 12.41 31.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.338 0.589 . . . . 10.0 111.843 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' C' ' 38' ' ' PRO . 40.2 mmtm -135.15 138.46 29.25 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.444 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.509 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 60.2 Cg_exo -54.39 -70.99 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 123.182 2.588 . . . . 10.0 113.688 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 22.1 m -141.4 125.73 17.56 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.733 0.301 . . . . 10.0 111.366 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.746 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 2.4 m-20 -132.13 104.4 13.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.159 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 41' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 25.9 Cg_endo -64.18 -33.14 61.78 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.227 1.951 . . . . 10.0 112.244 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.33 -37.25 60.84 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.911 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.746 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.1 mm? -72.45 -28.46 62.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.76 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 56' ' ' LEU . 18.2 mt -74.4 -32.97 62.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.628 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.95 -37.98 64.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.043 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.51 66.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.187 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -71.67 -33.33 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.273 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.9 -47.94 81.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.77 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.3 t -67.96 -39.07 83.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.354 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -73.85 -22.2 59.84 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.39 -40.88 66.89 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.748 0.308 . . . . 10.0 110.742 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 52.5 p -74.05 -28.42 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.017 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.79 -36.61 83.69 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -73.64 -33.03 64.32 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.192 -0.913 . . . . 10.0 108.679 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' C' ' 59' ' ' ASN . 7.6 t30 -65.23 -43.04 92.7 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.203 -0.908 . . . . 10.0 111.025 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.509 HD13 ' HA ' ' C' ' 56' ' ' LEU . 0.6 OUTLIER -74.16 -28.61 61.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 57' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' C' ' 16' ' ' PHE . 0.5 OUTLIER -67.04 -49.73 64.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.719 0.295 . . . . 10.0 111.265 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.583 ' HB2' HD11 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -72.38 -33.49 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.773 -179.219 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' C' ' 55' ' ' ASN . 0.7 OUTLIER -70.31 -33.73 71.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.79 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.3 -29.93 65.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.206 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.451 ' O ' HG23 ' C' ' 65' ' ' VAL . 11.0 tt0 -72.34 -45.11 61.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 62' ' ' SER . . . . . 0.509 ' HA ' HE22 ' D' ' 48' ' ' GLN . 58.5 p -70.0 -24.89 63.37 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.706 0.289 . . . . 10.0 110.692 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -46.86 29.67 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.901 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 15.6 p -65.1 -38.46 90.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.94 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 65' ' ' VAL . . . . . 0.451 HG23 ' O ' ' C' ' 61' ' ' GLN . 64.4 t -69.77 -28.49 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 120.856 0.36 . . . . 10.0 110.603 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -75.6 -47.96 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.875 0.694 . . . . 10.0 112.875 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 18.2 m -72.57 -38.57 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 113.193 0.812 . . . . 10.0 113.193 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -68.61 -40.47 80.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.812 0.339 . . . . 10.0 110.924 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.536 ' HD3' ' HA ' ' C' ' 69' ' ' LYS . 26.1 mmtp -72.64 -33.52 66.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.92 0.711 . . . . 10.0 112.92 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.98 -50.93 71.69 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.83 0.348 . . . . 10.0 110.892 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 28.6 pt -74.9 -26.01 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.95 -33.65 68.36 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.801 0.334 . . . . 10.0 110.615 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.38 71.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.365 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.14 87.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.811 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.73 -38.83 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.822 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 76' ' ' ILE . . . . . 0.547 ' HA ' ' HD2' ' C' ' 79' ' ' PHE . 1.1 mp -64.94 -39.02 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.455 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -71.71 -19.11 62.1 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.818 0.342 . . . . 10.0 110.393 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -73.81 -29.26 62.06 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.026 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 79' ' ' PHE . . . . . 0.547 ' HD2' ' HA ' ' C' ' 76' ' ' ILE . 49.5 m-85 -67.78 97.3 0.63 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.6 178.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.353 -0.832 . . . . 10.0 111.143 -179.436 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.74 0.305 . . . . 10.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.67 140.89 29.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.191 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 20.5 p -104.68 114.25 64.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.002 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.8 145.01 44.95 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.667 2.245 . . . . 10.0 112.262 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -72.23 111.3 7.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.939 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -141.29 148.17 39.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.908 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.69 165.76 28.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.86 -0.686 . . . . 10.0 112.288 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -66.92 -47.44 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.676 0.25 . . . . 10.0 111.676 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.473 ' H ' HD23 ' D' ' 9' ' ' LEU . 2.1 pt? -74.8 -26.74 59.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.248 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.15 -38.73 69.12 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.544 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' D' ' 15' ' ' LYS . 30.8 t70 -70.45 -41.07 73.31 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.808 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.1 t -60.09 -39.84 81.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.252 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 67.7 m -66.04 -41.44 90.87 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.614 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.8 -24.65 63.52 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.557 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' D' ' 11' ' ' ASP . 4.6 mmmp? -68.57 -38.93 81.13 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.79 0.329 . . . . 10.0 110.536 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -77.71 -33.8 52.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.898 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -64.89 -49.97 68.39 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.09 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -78.46 -27.41 46.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.592 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.99 -47.37 89.3 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.125 -0.559 . . . . 10.0 113.078 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' D' ' 23' ' ' LEU . 28.8 m -115.55 32.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 10.0 111.735 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.55 -45.19 92.55 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.434 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -75.38 -19.46 59.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.471 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.552 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 1.7 tt -71.71 -32.91 68.31 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.143 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.75 -45.62 91.66 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.314 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -72.89 -26.04 61.29 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.307 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -71.78 -30.61 65.73 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.461 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.431 HG23 ' O ' ' D' ' 23' ' ' LEU . 79.2 t -72.16 -43.25 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.394 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 35.3 p -73.39 -24.78 60.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.198 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.96 -36.58 56.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.672 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.94 -29.79 58.46 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.573 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.445 HD21 ' OD2' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -71.75 -35.89 70.26 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.475 179.069 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.28 -38.9 71.8 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.825 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -66.86 -47.57 71.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.986 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -57.97 -24.36 57.72 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.675 0.61 . . . . 10.0 112.577 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 35' ' ' ALA . . . . . 0.905 ' HA ' ' HZ3' ' B' ' 15' ' ' LYS . . . -49.66 -52.9 27.54 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 36' ' ' ALA . . . . . 0.508 ' HB2' ' HB ' ' A' ' 3' ' ' THR 0.352 . . -99.73 26.2 6.46 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 115.972 1.842 . . . . 10.0 115.972 -178.718 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -131.02 110.77 15.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.203 -1.036 . . . . 10.0 108.203 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.502 ' HG3' ' CZ3' ' A' ' 5' ' ' TRP . 18.7 Cg_endo -57.32 -74.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.944 2.429 . . . . 10.0 113.634 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 39' ' ' SER . . . . . 0.427 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 2.3 m -107.58 133.4 52.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.769 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 7.8 m-20 -135.69 110.18 10.27 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.705 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 42.7 Cg_endo -68.6 -45.59 2.33 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 122.74 2.293 . . . . 10.0 110.689 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.489 ' HA ' ' CZ ' ' C' ' 58' ' ' ARG . . . -78.1 -52.37 8.84 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.812 -1.086 . . . . 10.0 112.436 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.7 mm? -64.12 -28.82 70.03 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.769 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -81.8 -35.9 29.0 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 179.564 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.27 -34.54 65.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.876 0.37 . . . . 10.0 110.455 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.36 -37.83 65.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.172 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 47' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 12.9 t80 -70.72 -32.75 70.06 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.116 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 48' ' ' GLN . . . . . 0.555 ' OE1' HG23 ' A' ' 75' ' ' ILE . 7.5 tt0 -63.31 -40.74 98.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.269 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 23.9 t -75.03 -40.03 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.417 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -74.51 -24.61 59.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.521 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 0.5 OUTLIER -74.32 -37.73 63.5 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.017 0.437 . . . . 10.0 109.908 179.123 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 91.6 p -73.4 -28.89 62.25 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.356 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.0 -36.5 72.49 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.235 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -72.39 -28.59 63.09 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -59.88 -48.85 80.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.42 -1.264 . . . . 10.0 110.968 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -27.48 59.22 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 113.607 0.966 . . . . 10.0 113.607 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -57.18 -44.46 83.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 10.0 110.395 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -81.34 -29.73 34.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.775 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -75.79 -43.0 48.47 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.45 70.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.541 -0.299 . . . . 10.0 110.671 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -69.72 -40.51 76.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.361 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 91.2 p -71.12 -25.69 62.69 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.927 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.479 ' O ' HG23 ' D' ' 67' ' ' VAL . 3.9 m-20 -76.31 -42.5 44.95 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.986 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -62.1 -38.04 87.36 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.646 0.26 . . . . 10.0 111.599 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.64 -29.91 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.768 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -70.9 -41.25 71.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.686 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.479 HG23 ' O ' ' D' ' 63' ' ' ASN . 24.7 t -74.12 -46.85 43.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.586 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.38 -49.7 72.8 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.879 0.696 . . . . 10.0 112.879 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' D' ' 69' ' ' LYS . 29.7 mmtp -64.53 -33.78 76.7 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 113.115 0.783 . . . . 10.0 113.115 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.19 -54.51 43.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.592 0.234 . . . . 10.0 111.532 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 32.6 pt -70.19 -29.28 38.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.842 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -71.46 -34.36 70.16 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.62 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.94 76.81 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.807 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.92 -39.23 90.34 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.748 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 42.0 mt -70.95 -36.39 63.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.912 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.39 -40.79 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.088 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.88 -18.72 60.38 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.038 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.79 -30.25 65.33 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.167 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -70.09 99.74 1.52 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.494 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.179 -0.915 . . . . 10.0 111.459 -179.83 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.82 0.343 . . . . 10.0 110.739 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.09 100.59 11.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.3 p -127.65 130.87 23.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.158 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.4 153.23 61.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.513 2.142 . . . . 10.0 111.839 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.421 ' HZ3' ' HB2' ' A' ' 10' ' ' ASP . 4.1 t90 -78.56 119.61 22.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.393 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -130.9 143.17 50.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.28 160.31 30.8 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.316 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -66.95 -33.05 74.73 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.728 0.299 . . . . 10.0 111.009 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -66.79 -31.69 72.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.878 179.186 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.421 ' HB2' ' HZ3' ' A' ' 5' ' ' TRP . 17.3 t70 -72.3 -33.15 67.18 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.947 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.23 -37.3 80.68 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.653 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.13 -38.1 79.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.879 0.371 . . . . 10.0 110.688 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.525 ' HB3' HE21 ' A' ' 61' ' ' GLN . 60.3 m -66.12 -37.89 86.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.319 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.1 57.63 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.469 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -64.09 -51.81 62.25 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.798 0.332 . . . . 10.0 110.781 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.517 ' O ' HG22 ' A' ' 20' ' ' VAL . 20.7 m-85 -69.16 -29.36 67.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.396 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.42 -39.15 91.77 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.747 -0.661 . . . . 10.0 112.493 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.0 m -68.78 -32.43 72.16 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.646 0.26 . . . . 10.0 110.669 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.78 -30.48 74.55 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.649 -0.581 . . . . 10.0 111.649 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.588 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 28.0 m -120.15 33.38 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.21 -56.16 25.67 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.42 0.896 . . . . 10.0 113.42 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -81.2 -0.24 39.62 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.395 0.617 . . . . 10.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.588 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -71.17 -36.67 72.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.837 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -56.33 -46.94 79.67 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -72.3 -26.48 61.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.268 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.23 -32.02 69.7 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.994 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 23' ' ' LEU . 99.3 t -68.33 -46.47 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.365 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -68.0 -30.68 69.99 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.908 -0.587 . . . . 10.0 112.031 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -76.07 -41.13 51.52 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.169 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.0 71.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.07 -36.66 66.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.668 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.71 -39.0 80.68 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.522 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -71.2 -40.2 71.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.406 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -28.64 67.95 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.601 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.69 -22.78 63.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.846 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.84 -2.42 18.46 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 25.8 mmtp -107.95 123.5 37.54 Favored Pre-proline 0 N--CA 1.462 0.174 0 CA-C-N 116.609 -0.269 . . . . 10.0 111.427 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -61.9 -64.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.918 2.412 . . . . 10.0 111.818 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 p -140.45 123.73 16.8 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.936 0.398 . . . . 10.0 111.064 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.834 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.27 112.85 8.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.457 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 20.2 Cg_endo -62.48 -38.85 49.4 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.413 2.076 . . . . 10.0 112.491 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.35 -41.22 57.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.71 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.834 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 4.2 mm? -72.12 -25.25 61.65 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.243 0.461 . . . . 10.0 112.243 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.4 tp -74.77 -38.97 62.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.921 0.391 . . . . 10.0 110.372 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.9 -31.59 63.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.294 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.81 65.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.009 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -69.51 -35.11 75.2 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.307 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -69.05 -45.86 69.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.329 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.618 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 41.5 t -68.87 -41.83 77.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.378 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -69.49 -29.55 67.22 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.91 0.708 . . . . 10.0 112.91 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -73.33 -29.7 62.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.951 0.405 . . . . 10.0 110.33 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.8 m -73.84 -30.03 62.45 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.56 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.661 ' HG2' ' HA ' ' C' ' 38' ' ' PRO . 34.9 mt-10 -70.56 -36.83 73.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.623 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.05 -35.12 77.72 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.539 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 27.4 t30 -64.53 -46.62 82.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.181 -0.918 . . . . 10.0 110.462 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.98 -28.46 65.55 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -53.37 47.25 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.711 -0.222 . . . . 10.0 111.111 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -29.03 59.36 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.292 0.479 . . . . 10.0 112.292 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.539 ' HB2' ' O ' ' A' ' 55' ' ' ASN . 20.6 t30 -69.91 -45.18 68.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.588 -0.278 . . . . 10.0 111.202 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.33 65.0 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.112 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.525 HE21 ' HB3' ' A' ' 13' ' ' SER . 61.5 tt0 -70.99 -42.97 68.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.9 p -71.72 -26.89 62.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.893 0.378 . . . . 10.0 110.86 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -74.63 -36.03 62.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.729 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.8 p -70.45 -42.59 71.29 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.79 -31.0 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.8 0.333 . . . . 10.0 110.933 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -75.38 -48.08 24.58 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 71' ' ' ILE . 28.1 t -75.37 -41.1 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.761 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 77.5 t80 -62.37 -39.47 93.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.297 0.57 . . . . 10.0 111.407 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.557 ' HG3' ' OG ' ' B' ' 52' ' ' SER . 0.3 OUTLIER -66.72 -35.82 81.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.551 179.318 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -66.76 -27.86 67.94 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.035 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 68' ' ' PHE . 21.0 mt -60.85 -54.49 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.546 0.689 . . . . 10.0 109.994 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.673 ' O ' HG23 ' A' ' 76' ' ' ILE . 20.4 m-20 -64.36 -30.49 71.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.372 -1.286 . . . . 10.0 112.699 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.589 ' O ' HG12 ' A' ' 76' ' ' ILE . . . -59.26 -40.68 86.79 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.091 0.472 . . . . 10.0 111.539 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.737 ' O ' ' HG2' ' A' ' 77' ' ' GLN . . . -75.56 -28.06 58.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.929 0.395 . . . . 10.0 111.127 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.554 ' HA ' ' ND2' ' A' ' 78' ' ' ASN . 8.2 mt -68.43 -34.1 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.075 0.464 . . . . 10.0 110.636 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.673 HG23 ' O ' ' A' ' 72' ' ' ASP . 9.8 pt -74.96 -24.94 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.482 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.737 ' HG2' ' O ' ' A' ' 74' ' ' ALA . 2.6 pt20 -68.9 -27.82 66.12 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.554 ' ND2' ' HA ' ' A' ' 75' ' ' ILE . 6.8 m-20 -73.93 -33.68 64.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.299 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -66.21 143.8 57.02 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.647 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.139 -0.934 . . . . 10.0 111.498 179.111 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.667 0.27 . . . . 10.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.82 100.75 11.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.039 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 17.5 p -126.73 130.48 23.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.181 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -70.31 147.02 58.38 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.679 2.253 . . . . 10.0 112.043 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' TRP . . . . . 0.526 ' HZ3' ' HB2' ' B' ' 10' ' ' ASP . 5.6 t90 -76.56 119.7 20.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.378 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 44.3 m -129.43 145.24 51.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.538 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.7 163.28 34.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.966 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -67.07 -35.63 80.24 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.841 0.353 . . . . 10.0 111.012 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.601 ' H ' HD23 ' B' ' 9' ' ' LEU . 0.8 OUTLIER -69.52 -31.69 70.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.121 179.676 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.526 ' HB2' ' HZ3' ' B' ' 5' ' ' TRP . 21.3 t70 -72.78 -33.2 66.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.672 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.73 -40.06 80.07 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.421 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -28.02 30.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.935 0.398 . . . . 10.0 111.511 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 72.7 m -70.41 -37.18 74.42 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.57 57.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.359 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -59.07 -55.14 38.87 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.925 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.526 ' O ' HG22 ' B' ' 20' ' ' VAL . 10.2 m-85 -72.8 -28.71 62.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.973 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.69 -48.81 70.78 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.7 m -62.22 -27.37 68.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.857 0.36 . . . . 10.0 111.659 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.35 -31.84 58.68 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.749 -0.738 . . . . 10.0 112.249 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.553 ' HB ' HD23 ' B' ' 23' ' ' LEU . 27.0 m -115.74 31.91 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.055 0.455 . . . . 10.0 110.364 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.17 -54.7 43.97 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.57 -0.741 . . . . 10.0 112.476 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -78.25 -2.84 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.533 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.553 HD23 ' HB ' ' B' ' 20' ' ' VAL . 23.2 tp -72.32 -32.93 66.98 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.804 0.668 . . . . 10.0 112.804 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -55.83 -48.19 75.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.824 0.345 . . . . 10.0 111.395 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -73.62 -26.58 60.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.068 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -72.01 -37.75 69.72 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.702 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.78 -32.61 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.688 -0.233 . . . . 10.0 111.496 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 32.0 p -77.08 -29.57 55.06 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.755 0.312 . . . . 10.0 110.709 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -77.13 -36.54 55.33 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.362 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.02 -31.48 70.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.631 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.1 tp -73.1 -36.16 66.73 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.239 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.02 -38.78 76.01 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.571 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -71.41 -33.94 69.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.202 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.5 OUTLIER -70.98 -31.03 67.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.958 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.49 -16.34 60.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.412 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.59 -6.98 20.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.309 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.1 mmtm -106.61 129.5 24.35 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.379 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 39.1 Cg_exo -63.22 -54.98 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.684 2.256 . . . . 10.0 110.705 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.9 p -154.57 124.07 6.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.974 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.693 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 3.4 t70 -137.18 109.49 8.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.647 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.63 -35.6 79.95 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.714 2.276 . . . . 10.0 112.513 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.63 -44.43 56.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.304 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.693 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.6 mm? -72.33 -20.66 61.45 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -75.73 -44.72 40.43 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.902 0.382 . . . . 10.0 110.492 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.03 -28.4 62.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.827 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.39 -46.6 47.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.803 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -65.82 -36.06 82.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.137 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -66.44 -42.09 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.163 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' B' ' 53' ' ' GLU . 1.5 t -67.71 -43.5 79.91 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.094 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -70.14 -28.57 65.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 10.0 112.091 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.1 -29.79 67.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.557 ' OG ' ' HG3' ' A' ' 69' ' ' LYS . 18.3 m -65.21 -53.19 48.27 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 115.41 -0.813 . . . . 10.0 110.403 178.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLU . . . . . 0.486 ' OE1' ' HB2' ' D' ' 38' ' ' PRO . 0.7 OUTLIER -54.19 -35.21 62.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.731 -1.122 . . . . 10.0 111.707 -178.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -67.81 -41.7 82.68 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -69.92 -27.54 64.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.701 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' B' ' 56' ' ' LEU . 0.9 OUTLIER -72.88 -34.49 66.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.233 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -54.11 9.47 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.258 0.836 . . . . 10.0 113.258 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -36.79 79.59 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 114.224 1.194 . . . . 10.0 114.224 -177.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.524 ' OD1' ' HB ' ' A' ' 76' ' ' ILE . 27.6 t-20 -74.29 -50.32 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.099 0.778 . . . . 10.0 113.099 -178.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.45 70.64 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -68.01 -40.51 82.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.167 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m -70.67 -30.03 66.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.967 0.413 . . . . 10.0 110.142 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -72.6 -40.96 66.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.741 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 28.6 p -68.2 -41.38 81.44 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 69.5 t -72.44 -29.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.72 0.295 . . . . 10.0 111.281 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -75.66 -48.79 20.61 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.657 ' O ' HG13 ' B' ' 71' ' ' ILE . 49.1 t -69.75 -46.51 74.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 112.021 0.378 . . . . 10.0 112.021 -179.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' B' ' 71' ' ' ILE . 51.1 t80 -59.07 -33.11 70.42 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.209 0.318 . . . . 10.0 111.153 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -67.74 -35.8 79.4 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.981 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -74.52 -27.07 60.38 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.363 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.657 HG13 ' O ' ' B' ' 67' ' ' VAL . 25.4 mt -66.84 -48.54 79.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 121.02 0.438 . . . . 10.0 110.125 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.538 ' O ' HG13 ' B' ' 76' ' ' ILE . 10.9 m-20 -69.94 -28.57 65.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.626 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.23 86.58 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.952 0.406 . . . . 10.0 110.703 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 77' ' ' GLN . . . -70.55 -35.71 73.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.126 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.476 ' HA ' ' OD1' ' B' ' 78' ' ' ASN . 62.0 mt -64.35 -32.07 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.11 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 72' ' ' ASP . 54.8 mt -69.27 -38.32 77.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.711 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' B' ' 74' ' ' ALA . 3.5 pt20 -68.48 -21.81 64.6 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.487 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.476 ' OD1' ' HA ' ' B' ' 75' ' ' ILE . 12.2 m120 -74.69 -39.45 61.97 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.165 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -71.29 146.92 48.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.24 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.233 -0.889 . . . . 10.0 111.277 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 111.646 0.239 . . . . 10.0 111.646 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.39 100.33 8.4 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.797 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -136.03 131.39 18.84 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.006 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.06 168.61 23.74 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.082 2.521 . . . . 10.0 112.634 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.36 118.71 20.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.578 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -130.03 136.6 49.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.234 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.62 164.3 33.88 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.598 -0.81 . . . . 10.0 112.978 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -67.24 -33.97 76.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.809 0.338 . . . . 10.0 111.313 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -29.7 69.65 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.501 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -72.09 -32.23 66.82 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.871 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.41 -36.84 74.28 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.476 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.45 HG11 HG21 ' C' ' 64' ' ' THR . 26.9 t -68.72 -39.7 80.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.885 0.374 . . . . 10.0 110.942 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' SER . . . . . 0.627 ' HB3' HE21 ' C' ' 61' ' ' GLN . 63.0 m -66.39 -39.75 89.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.589 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -22.85 58.31 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.391 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -47.4 79.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.783 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.505 ' O ' HG22 ' C' ' 20' ' ' VAL . 26.6 m-85 -72.31 -30.32 64.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.363 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -65.12 -38.47 90.76 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.634 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -63.34 -36.75 84.75 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.72 0.295 . . . . 10.0 111.388 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.5 -25.59 73.83 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.911 -0.661 . . . . 10.0 112.491 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 32.0 m -116.55 31.99 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.715 0.293 . . . . 10.0 111.305 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.81 -56.08 25.48 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -84.49 1.54 45.17 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.316 0.579 . . . . 10.0 110.558 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.52 ' HB3' ' O ' ' C' ' 20' ' ' VAL . 1.2 tm? -71.76 -40.24 69.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.189 -0.914 . . . . 10.0 111.427 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -56.45 -44.9 80.94 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -72.8 -26.61 61.57 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.561 -0.291 . . . . 10.0 111.069 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.73 -32.58 69.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.898 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 23' ' ' LEU . 89.2 t -68.83 -42.97 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.48 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 36.7 p -71.43 -29.23 64.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.772 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.43 -40.86 57.13 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.774 0.321 . . . . 10.0 110.566 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.35 69.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.476 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.99 -36.76 67.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.446 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.19 -36.5 81.88 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.436 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 64.0 mttp -70.96 -50.23 36.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.52 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.409 ' O ' HD13 ' C' ' 34' ' ' LEU . 1.5 tm? -68.08 -25.52 65.37 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.01 -34.43 59.85 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.45 24.27 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 0.2 OUTLIER -105.04 117.5 58.46 Favored Pre-proline 0 N--CA 1.463 0.208 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 38' ' ' PRO . . . . . 0.661 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 96.9 Cg_exo -47.83 -72.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.322 3.348 . . . . 10.0 113.495 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 51.5 p -146.18 124.3 12.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.25 0.548 . . . . 10.0 111.661 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' ASP . . . . . 0.818 ' HB3' ' HB2' ' C' ' 43' ' ' LEU . 0.4 OUTLIER -137.85 103.7 8.29 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.44 179.121 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 41' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 19.0 Cg_endo -61.92 -35.99 74.61 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.447 2.098 . . . . 10.0 112.133 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -40.77 57.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.4 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.818 ' HB2' ' HB3' ' C' ' 40' ' ' ASP . 4.2 mm? -72.7 -25.33 61.19 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.546 0.573 . . . . 10.0 112.546 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 45.0 tp -71.98 -40.88 68.27 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.804 0.335 . . . . 10.0 110.803 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.91 -30.67 62.71 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.496 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.74 63.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.156 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -69.05 -36.79 78.06 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -69.17 -42.3 76.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.409 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 44.9 t -72.06 -38.81 69.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.445 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -71.05 -28.41 64.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.999 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' C' ' 51' ' ' LEU . 11.5 tp -74.71 -29.91 61.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.896 0.379 . . . . 10.0 110.125 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 54.4 m -74.39 -29.65 61.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.142 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.45 -36.64 79.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.534 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -68.76 -29.4 67.78 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' C' ' 59' ' ' ASN . 58.8 t30 -66.47 -49.13 67.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.015 -0.993 . . . . 10.0 111.714 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.95 -28.29 65.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.762 0.652 . . . . 10.0 112.762 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -49.93 68.15 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.888 0.375 . . . . 10.0 110.999 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 58' ' ' ARG . . . . . 0.616 HH12 ' HB3' ' C' ' 62' ' ' SER . 0.0 OUTLIER -78.84 -26.92 44.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.934 -0.576 . . . . 10.0 112.018 -178.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' C' ' 55' ' ' ASN . 5.3 m-20 -73.53 -42.58 61.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.313 . . . . 10.0 111.835 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -30.23 61.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.692 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 61' ' ' GLN . . . . . 0.627 HE21 ' HB3' ' C' ' 13' ' ' SER . 55.8 tt0 -68.85 -39.82 79.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.072 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 62' ' ' SER . . . . . 0.616 ' HB3' HH12 ' C' ' 58' ' ' ARG . 34.4 p -71.93 -30.43 65.32 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.577 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -72.15 -40.13 68.26 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.883 0.373 . . . . 10.0 110.611 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 64' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' C' ' 68' ' ' PHE . 20.4 p -69.94 -40.66 75.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.84 -44.83 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -78.52 -48.15 15.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.701 1.0 . . . . 10.0 113.701 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 67' ' ' VAL . . . . . 0.413 ' O ' HG13 ' C' ' 71' ' ' ILE . 39.5 t -68.79 -40.87 81.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 113.392 0.886 . . . . 10.0 113.392 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 68' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' C' ' 64' ' ' THR . 50.3 t80 -65.51 -42.39 92.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.646 0.26 . . . . 10.0 111.165 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.723 ' NZ ' HD23 ' D' ' 56' ' ' LEU . 7.5 mtpm? -67.29 -32.7 73.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.39 . . . . 10.0 112.044 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.21 -29.64 70.94 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' C' ' 68' ' ' PHE . 76.6 mt -66.72 -43.95 89.78 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.584 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 72' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' C' ' 75' ' ' ILE . 29.9 m-20 -68.0 -25.02 65.19 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.221 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.19 -33.93 74.11 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.555 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.76 -29.36 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.672 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' C' ' 72' ' ' ASP . 74.6 mt -69.74 -44.93 78.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.355 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 76' ' ' ILE . . . . . 0.486 ' HA ' ' CD2' ' C' ' 79' ' ' PHE . 1.6 pp -69.34 -24.6 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 120.979 0.419 . . . . 10.0 110.351 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -69.01 -30.56 68.98 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.64 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -73.79 -30.31 62.68 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.257 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 79' ' ' PHE . . . . . 0.486 ' CD2' ' HA ' ' C' ' 76' ' ' ILE . 19.9 m-85 -69.13 145.8 53.04 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.981 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.166 -0.921 . . . . 10.0 111.496 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tmt? . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.689 0.281 . . . . 10.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.68 100.94 11.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 16.4 p -127.57 131.59 23.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.73 149.42 60.7 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.64 2.227 . . . . 10.0 111.963 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' TRP . . . . . 0.503 ' HZ3' ' HB2' ' D' ' 10' ' ' ASP . 9.1 t90 -78.3 121.75 24.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.17 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -133.57 147.85 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.621 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.66 165.84 37.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.625 -0.797 . . . . 10.0 112.783 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -67.03 -38.64 86.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.699 0.285 . . . . 10.0 111.411 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.653 ' H ' HD23 ' D' ' 9' ' ' LEU . 1.0 OUTLIER -67.44 -28.02 67.53 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.767 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 10' ' ' ASP . . . . . 0.503 ' HB2' ' HZ3' ' D' ' 5' ' ' TRP . 18.7 t70 -72.33 -33.93 67.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.764 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.97 -36.51 75.27 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.301 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.66 -39.25 80.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 120.903 0.382 . . . . 10.0 110.616 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' SER . . . . . 0.637 ' HB3' HE21 ' D' ' 61' ' ' GLN . 62.2 m -66.68 -38.74 87.41 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.601 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.9 -22.99 58.31 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.256 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' D' ' 15' ' ' LYS . 9.3 tppt? -64.33 -47.67 78.52 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.674 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 16' ' ' PHE . . . . . 0.451 ' O ' HG22 ' D' ' 20' ' ' VAL . 25.0 m-85 -74.17 -31.96 62.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.633 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.35 -40.51 93.69 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.153 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -68.88 -34.4 75.38 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.799 0.333 . . . . 10.0 111.225 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.15 90.65 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.683 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' VAL . . . . . 0.451 HG22 ' O ' ' D' ' 16' ' ' PHE . 30.3 m -117.21 33.66 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.003 0.43 . . . . 10.0 111.038 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.7 -46.97 86.12 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.539 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -82.56 -3.54 56.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 10.0 111.839 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' LEU . . . . . 0.473 ' O ' HG23 ' D' ' 27' ' ' VAL . 1.9 tt -72.19 -33.5 67.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.872 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -58.3 -48.03 81.78 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.21 0.319 . . . . 10.0 111.757 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -72.76 -26.69 61.64 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.35 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -71.15 -33.13 69.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.945 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 23' ' ' LEU . 72.6 t -68.7 -43.87 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.615 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 26.1 p -70.15 -30.04 67.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.698 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -76.65 -41.88 44.08 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.571 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.98 -28.8 65.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.899 0.38 . . . . 10.0 110.768 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -72.94 -37.24 67.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.51 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.46 -37.19 74.25 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.591 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' D' ' 37' ' ' LYS . 62.6 mttp -70.92 -35.18 72.16 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.552 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' D' ' 34' ' ' LEU . 0.3 OUTLIER -71.03 -25.0 62.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.444 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.25 65.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.924 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.0 8.96 12.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 10.0 111.848 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 37' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' D' ' 33' ' ' LYS . 1.2 mptm? -118.03 101.24 51.84 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.685 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 38' ' ' PRO . . . . . 0.486 ' HB2' ' OE1' ' B' ' 53' ' ' GLU . 22.1 Cg_exo -65.96 -73.01 0.02 OUTLIER 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.994 2.463 . . . . 10.0 113.442 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 5.4 p -110.78 118.87 37.32 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.556 -0.458 . . . . 10.0 111.62 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' ASP . . . . . 0.672 ' HB3' ' HB2' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -144.63 134.19 11.51 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 113.647 0.98 . . . . 10.0 113.647 179.652 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.761 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 40.5 Cg_endo -69.88 -48.45 0.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.496 2.131 . . . . 10.0 111.865 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.02 25.14 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.186 -0.915 . . . . 10.0 112.871 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 1.8 mm? -65.4 -30.56 71.38 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 112.124 0.416 . . . . 10.0 112.124 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.567 HD13 ' H ' ' D' ' 40' ' ' ASP . 5.3 mp -80.55 -29.96 37.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 10.0 110.665 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.11 82.64 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.925 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 46' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' D' ' 50' ' ' LYS . . . -63.13 -39.12 93.74 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.073 -0.967 . . . . 10.0 111.421 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -71.28 -33.9 70.18 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -68.99 -49.12 60.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.759 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 14.8 t -74.46 -49.75 21.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.523 0.934 . . . . 10.0 113.523 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 50' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' D' ' 46' ' ' ALA . 12.6 mptt -64.76 -37.0 86.12 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.183 1.179 . . . . 10.0 114.183 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.77 -44.51 73.51 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.769 0.319 . . . . 10.0 111.055 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 99.6 p -72.61 -29.21 63.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.237 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.13 -36.93 85.64 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -65.03 -34.68 79.02 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.912 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 55' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' D' ' 59' ' ' ASN . 19.4 t30 -61.55 -45.03 95.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.585 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 56' ' ' LEU . . . . . 0.723 HD23 ' NZ ' ' C' ' 69' ' ' LYS . 2.5 mm? -73.58 -27.29 61.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.53 -46.83 81.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.703 0.287 . . . . 10.0 110.948 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -32.5 33.56 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.484 0.549 . . . . 10.0 112.484 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 59' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' D' ' 55' ' ' ASN . 1.5 t-20 -70.11 -44.74 68.36 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 -179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.35 -30.06 63.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.137 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 61' ' ' GLN . . . . . 0.637 HE21 ' HB3' ' D' ' 13' ' ' SER . 57.3 tt0 -68.2 -45.63 72.85 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.486 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 84.8 p -70.86 -24.42 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.823 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.46 ' O ' HG23 ' D' ' 67' ' ' VAL . 66.8 t30 -73.84 -40.87 63.0 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.303 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 22.7 p -67.54 -37.8 83.24 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -69.99 -29.94 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 120.827 0.346 . . . . 10.0 110.682 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -74.55 -45.43 45.56 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.612 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.46 HG23 ' O ' ' D' ' 63' ' ' ASN . 54.2 t -69.8 -48.76 62.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 112.178 0.436 . . . . 10.0 112.178 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 68' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' D' ' 71' ' ' ILE . 54.5 t80 -60.59 -39.9 89.79 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -65.52 -35.86 82.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.594 -0.276 . . . . 10.0 111.647 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -69.32 -28.74 66.51 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.562 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 71' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' D' ' 68' ' ' PHE . 72.1 mt -67.85 -43.46 86.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 72' ' ' ASP . . . . . 0.545 ' O ' HG13 ' D' ' 76' ' ' ILE . 41.8 m-20 -66.29 -28.98 69.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.396 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.54 89.82 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.009 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.83 -31.22 70.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.676 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 75' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' D' ' 72' ' ' ASP . 55.4 mt -69.09 -31.7 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.597 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 76' ' ' ILE . . . . . 0.545 HG13 ' O ' ' D' ' 72' ' ' ASP . 50.1 mt -68.47 -33.45 60.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.268 -0.423 . . . . 10.0 109.943 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -63.42 -36.95 85.42 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.253 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -68.5 -31.07 70.07 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.663 -0.699 . . . . 10.0 111.467 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -77.19 148.29 35.97 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.307 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.179 -0.915 . . . . 10.0 111.467 179.86 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.734 ' CH2' ' HG2' ' D' ' 38' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 121.039 0.447 . . . . 10.0 111.163 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -94.59 110.01 21.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.729 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.34 136.48 5.33 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.679 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.417 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -66.63 -45.97 77.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.618 0.247 . . . . 10.0 111.303 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.714 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.1 pt? -67.15 -37.35 83.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.038 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -72.01 -29.37 64.13 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.888 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.92 -37.8 79.14 Favored 'General case' 0 C--O 1.227 -0.091 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.611 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG11 HG21 ' A' ' 64' ' ' THR . 60.0 t -68.11 -37.08 77.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.394 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.2 m -68.59 -43.7 75.93 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.56 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -22.97 61.05 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.016 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -63.63 -45.8 88.6 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.309 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 20' ' ' VAL . 17.2 m-85 -71.74 -28.87 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -64.93 -40.16 94.61 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -68.67 -27.52 66.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.085 0.469 . . . . 10.0 110.291 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.83 -48.53 10.0 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.744 -0.662 . . . . 10.0 112.995 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 16' ' ' PHE . 18.4 m -101.81 31.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.87 -56.35 22.84 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.417 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -87.0 -5.67 59.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.916 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.2 tm? -70.83 -33.32 70.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.37 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -61.58 -40.83 96.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.549 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.3 p -72.57 -26.62 61.79 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.022 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -73.02 -29.57 63.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.315 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 23' ' ' LEU . 57.7 t -71.5 -43.23 72.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.621 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 p -71.18 -31.78 68.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.643 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -39.39 76.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.956 0.408 . . . . 10.0 110.471 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.33 -24.32 50.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.386 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.9 tp -72.6 -43.23 63.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.921 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.55 -31.45 68.5 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.679 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -32.43 68.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.411 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -77.96 -31.64 50.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.001 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.78 -25.62 62.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 10.0 112.123 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.22 6.08 49.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 10.0 111.577 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 4.0 mmmp? -127.15 133.56 25.18 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.113 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 31.7 Cg_exo -60.89 -66.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.8 2.333 . . . . 10.0 111.988 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.1 p -152.01 123.85 7.99 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.032 0.444 . . . . 10.0 111.307 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 1.3 p30 -137.95 124.33 13.1 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.458 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.02 -29.3 66.19 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.758 2.305 . . . . 10.0 112.948 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.85 -50.89 18.22 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 3.9 mm? -72.39 -24.1 61.2 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -69.96 -43.31 71.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 10.0 110.173 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.76 -32.51 63.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.87 68.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.937 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 16.4 t80 -70.27 -33.29 71.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.14 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -62.86 -43.3 99.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.354 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.3 t -72.71 -38.76 67.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 70.5 mmtt -72.64 -24.73 61.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 10.0 112.006 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -74.14 -37.11 64.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.833 0.349 . . . . 10.0 110.553 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.2 p -72.19 -29.27 63.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.664 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 50.8 mt-10 -67.7 -36.93 81.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.935 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -71.46 -35.4 70.86 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.557 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.69 -35.41 80.7 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.274 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.65 -32.08 67.53 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.487 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.96 -47.02 66.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.747 0.308 . . . . 10.0 110.932 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -71.0 -33.42 70.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 10.0 112.066 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -77.75 -39.69 43.43 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.93 -34.17 77.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.619 0.247 . . . . 10.0 111.17 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -71.87 -43.04 66.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.7 p -71.54 -25.6 62.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.305 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -74.44 -43.06 57.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.352 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.439 HG21 HG11 ' A' ' 12' ' ' VAL . 3.7 p -69.17 -37.79 78.36 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.55 -20.62 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 120.724 0.297 . . . . 10.0 111.327 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -83.64 -48.89 9.71 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.569 0.581 . . . . 10.0 112.569 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 63' ' ' ASN . 17.3 t -70.13 -35.98 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.995 0.426 . . . . 10.0 111.458 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.687 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 9.9 t80 -70.5 -44.73 67.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 10.0 112.206 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -66.12 -35.67 81.11 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -52.83 63.63 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.99 0.424 . . . . 10.0 111.388 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.544 HD11 ' CB ' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -68.19 -34.82 68.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.94 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.508 ' HA ' HG13 ' A' ' 75' ' ' ILE . 9.9 t70 -72.06 -23.05 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 10.0 111.231 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.51 -33.43 66.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.035 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.25 96.18 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.272 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' D' ' 45' ' ' ALA . 0.6 OUTLIER -62.67 -50.47 79.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.275 -0.875 . . . . 10.0 110.589 179.603 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.579 HD13 HD22 ' B' ' 59' ' ' ASN . 0.4 OUTLIER -57.01 -35.33 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 114.746 -1.115 . . . . 10.0 112.303 -179.338 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -72.15 -25.03 61.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.292 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.608 HD22 ' HD3' ' C' ' 66' ' ' LYS . 20.3 t-20 -66.45 -32.67 74.19 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.816 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.983 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 78.5 m-85 -68.6 91.39 0.42 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.307 -0.86 . . . . 10.0 109.361 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.401 ' O ' HG22 ' B' ' 67' ' ' VAL . 38.7 ttp180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.07 -0.966 . . . . 10.0 111.243 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 111.603 -0.599 . . . . 10.0 111.603 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.425 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.2 OUTLIER -66.61 -45.53 78.85 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.54 ' H ' HD23 ' B' ' 9' ' ' LEU . 0.4 OUTLIER -68.62 -36.61 78.87 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.432 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.42 -31.31 65.38 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.772 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.53 -37.93 86.06 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.601 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 8' ' ' TYR . 61.3 t -67.16 -36.55 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.685 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.0 m -67.78 -47.61 68.66 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.931 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.25 62.6 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.047 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -63.22 -46.9 84.81 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.269 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.596 ' O ' HG22 ' B' ' 20' ' ' VAL . 20.7 m-85 -71.15 -29.13 64.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.589 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -64.71 -42.08 95.53 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 113.164 0.802 . . . . 10.0 113.164 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -63.45 -29.17 70.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.032 0.444 . . . . 10.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.17 -47.96 10.31 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.532 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.596 HG22 ' O ' ' B' ' 16' ' ' PHE . 22.4 m -101.63 31.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.835 0.35 . . . . 10.0 111.747 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.9 -47.25 87.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.524 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -93.42 -4.5 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.582 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 27' ' ' VAL . 34.2 tp -71.7 -29.86 65.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.621 0.248 . . . . 10.0 111.189 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.93 -41.27 95.88 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.036 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 50.2 p -73.57 -26.72 60.96 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.827 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -73.55 -31.39 63.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.357 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 23' ' ' LEU . 92.4 t -72.61 -40.47 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.762 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 20.2 p -71.79 -30.44 65.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.097 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -38.03 71.81 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.089 0.471 . . . . 10.0 110.111 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.23 -24.41 51.21 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.988 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 65.0 tp -72.9 -42.33 63.68 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.764 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.5 -31.6 68.76 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.411 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -31.13 66.51 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.309 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -76.35 -34.72 58.96 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.752 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.27 -21.23 58.68 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.684 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.97 15.0 25.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.814 0.34 . . . . 10.0 111.059 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 11.0 tptm -137.68 135.58 19.21 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.868 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 35.2 Cg_exo -62.05 -60.52 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.855 2.37 . . . . 10.0 112.016 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.2 p -157.03 125.23 5.59 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.98 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.454 ' CG ' ' HB2' ' B' ' 43' ' ' LEU . 2.7 p30 -137.2 117.84 10.73 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 10.0 112.058 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.23 -28.8 64.24 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.647 2.231 . . . . 10.0 112.557 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.17 -50.52 22.12 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.454 ' HB2' ' CG ' ' B' ' 40' ' ' ASP . 3.8 mm? -72.54 -21.09 61.22 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 40' ' ' ASP . 0.2 OUTLIER -71.18 -42.01 69.61 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 179.124 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.68 -31.14 63.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.726 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.71 -51.16 24.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.869 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -64.45 -33.07 75.02 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.408 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.06 -46.05 89.33 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.064 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 38.8 t -70.57 -38.73 74.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.991 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.468 ' HD3' ' OE1' ' B' ' 53' ' ' GLU . 65.2 mmtt -70.61 -27.43 64.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.005 -0.543 . . . . 10.0 112.012 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 51' ' ' LEU . 7.7 mt -74.23 -29.99 61.96 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -70.74 -30.65 67.23 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.935 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.468 ' OE1' ' HD3' ' B' ' 50' ' ' LYS . 31.9 mt-10 -73.87 -36.25 64.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.849 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -69.43 -33.08 72.43 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.535 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 61.2 t30 -70.22 -25.62 63.48 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.798 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -69.88 -42.19 73.78 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.048 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.84 -49.77 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.379 -0.828 . . . . 10.0 112.162 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -30.83 67.69 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.241 0.83 . . . . 10.0 113.241 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.579 HD22 HD13 ' A' ' 76' ' ' ILE . 2.8 t30 -78.57 -61.04 2.14 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 113.855 1.057 . . . . 10.0 113.855 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.1 60.8 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 117.649 0.204 . . . . 10.0 111.277 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -66.26 -48.24 71.09 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.482 0.182 . . . . 10.0 111.196 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.421 ' HA ' HG12 ' B' ' 65' ' ' VAL . 91.8 p -70.93 -26.38 63.17 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.057 0.456 . . . . 10.0 111.09 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.983 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 7.1 m120 -71.52 -47.24 56.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.169 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -67.82 -40.94 83.74 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.106 0.41 . . . . 10.0 112.106 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' B' ' 62' ' ' SER . 9.9 p -68.08 -22.19 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 120.768 0.318 . . . . 10.0 111.673 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -79.26 -47.89 15.12 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.138 0.421 . . . . 10.0 112.138 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 63' ' ' ASN . 0.4 OUTLIER -72.61 -31.22 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -72.15 -39.18 68.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -69.08 -34.95 75.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.848 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -52.21 64.76 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.84 -29.65 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 120.78 0.324 . . . . 10.0 111.716 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -72.1 -30.92 65.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.529 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.33 -31.1 69.33 Favored 'General case' 0 N--CA 1.458 -0.063 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.334 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.74 81.8 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.652 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.7 mt -67.58 -45.17 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.771 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.63 -37.34 77.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.173 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.52 -24.02 63.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.923 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -72.58 -33.8 67.0 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.998 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.526 179.047 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.911 0.386 . . . . 10.0 110.66 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -94.73 109.43 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.537 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.35 141.53 8.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.039 -0.601 . . . . 10.0 112.079 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . 0.408 ' O ' HG23 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -66.84 -46.16 75.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.744 0.307 . . . . 10.0 111.588 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.656 ' H ' HD23 ' C' ' 9' ' ' LEU . 0.6 OUTLIER -69.63 -35.09 74.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.623 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.33 -31.57 65.77 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.78 -38.02 82.84 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.225 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.568 HG11 HG21 ' C' ' 64' ' ' THR . 50.6 t -67.21 -39.16 82.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.871 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -67.59 -45.74 74.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.091 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.89 -23.48 62.3 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.399 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.32 -35.96 76.47 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.332 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.521 ' O ' HG22 ' C' ' 20' ' ' VAL . 20.8 m-85 -75.26 -29.0 60.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.465 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -64.98 -38.98 92.76 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.106 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -66.43 -31.54 72.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.951 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.85 -43.22 23.31 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.856 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.521 HG22 ' O ' ' C' ' 16' ' ' PHE . 28.1 m -101.53 31.3 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 111.949 0.352 . . . . 10.0 111.949 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -60.9 -56.43 21.22 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.507 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -89.56 -5.19 57.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.051 0.453 . . . . 10.0 111.008 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.492 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.2 tm? -70.67 -33.91 71.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.251 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -61.77 -41.58 97.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.461 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 38.8 p -71.75 -26.33 62.41 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.083 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -72.98 -29.14 62.83 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.264 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.492 HG23 ' O ' ' C' ' 23' ' ' LEU . 58.6 t -71.2 -44.13 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.451 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 19.3 p -70.88 -31.71 68.46 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.606 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -40.37 76.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.915 0.388 . . . . 10.0 110.637 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.11 -24.47 51.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.197 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.09 -44.29 65.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.756 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 -30.94 67.78 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.84 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -40.32 86.49 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.864 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -77.13 -31.67 55.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.84 -34.17 72.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 10.0 112.242 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.48 23.65 13.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.682 0.623 . . . . 10.0 112.682 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -130.65 119.78 18.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.38 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.417 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 84.8 Cg_exo -49.09 -68.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.413 2.742 . . . . 10.0 113.226 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 20.6 p -151.9 124.35 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.145 0.498 . . . . 10.0 112.083 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.424 ' CG ' ' HB2' ' C' ' 43' ' ' LEU . 1.0 OUTLIER -138.44 117.83 9.66 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.173 179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.35 -28.47 63.2 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.683 2.255 . . . . 10.0 112.498 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.12 -48.86 21.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.357 0.503 . . . . 10.0 112.357 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' C' ' 43' ' ' LEU . 3.7 mm? -72.65 -21.72 61.05 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' C' ' 40' ' ' ASP . 0.2 OUTLIER -70.72 -42.57 70.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.164 179.249 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.68 -30.18 62.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.879 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.42 -45.41 62.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.051 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -70.9 -33.16 70.27 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.214 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' C' ' 48' ' ' GLN . 7.5 tt0 -61.33 -46.59 89.62 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 34.1 t -69.98 -38.95 76.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -72.48 -26.21 61.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 10.0 112.265 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -42.91 74.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.769 0.319 . . . . 10.0 111.012 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -74.23 -28.63 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.551 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.68 -36.5 78.9 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -74.92 -36.23 62.17 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.331 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -63.24 -43.41 98.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.146 -0.934 . . . . 10.0 111.072 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.81 -33.89 74.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.427 0.528 . . . . 10.0 112.427 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -47.65 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 10.0 111.284 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' D' ' 42' ' ' ALA . 0.5 OUTLIER -69.17 -37.07 77.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.938 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' C' ' 63' ' ' ASN . 50.5 t30 -72.46 -25.2 61.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.513 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.29 -30.75 62.23 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.719 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -72.72 -44.71 61.34 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.993 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . 0.588 ' HA ' HE22 ' D' ' 48' ' ' GLN . 37.2 p -70.78 -23.65 62.44 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' C' ' 59' ' ' ASN . 0.5 OUTLIER -75.95 -50.83 13.85 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.628 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . 0.568 HG21 HG11 ' C' ' 12' ' ' VAL . 18.3 p -64.4 -37.83 88.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.908 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 7.5 p -74.32 -20.88 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.604 -0.271 . . . . 10.0 110.879 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . 0.608 ' HD3' HD22 ' A' ' 78' ' ' ASN . 2.2 ttpm? -82.4 -48.49 11.07 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.2 0.445 . . . . 10.0 112.2 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . 0.418 HG22 ' O ' ' C' ' 63' ' ' ASN . 18.0 m -71.93 -35.74 55.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -74.01 -34.66 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.226 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.95 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 0.1 OUTLIER -72.63 -35.88 67.91 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.598 0.592 . . . . 10.0 112.598 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -48.96 76.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.69 0.281 . . . . 10.0 111.351 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 15.2 tt -69.11 -36.74 74.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.765 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . 0.419 ' HB3' ' HE2' ' C' ' 69' ' ' LYS . 24.5 t70 -71.12 -27.47 63.61 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.338 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.78 79.81 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.51 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.46 73.65 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.895 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 71.1 mt -71.34 -46.38 65.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.569 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.99 -30.12 48.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -76.26 -21.92 55.74 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.093 0.473 . . . . 10.0 109.927 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.246 178.026 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.844 0.354 . . . . 10.0 110.574 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.87 62.48 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.331 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -66.78 -39.7 87.91 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.571 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.501 ' O ' HG22 ' D' ' 20' ' ' VAL . 23.7 m-85 -75.97 -31.9 59.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.764 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.14 -39.51 94.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.747 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.3 m -74.77 -30.79 61.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.27 -52.15 18.95 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.905 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' D' ' 16' ' ' PHE . 29.0 m -99.47 32.28 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.822 0.344 . . . . 10.0 111.888 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.31 -53.73 54.88 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.632 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -85.24 -8.96 58.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.466 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.501 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 2.3 tt -71.39 -30.27 65.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.975 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -62.1 -41.08 97.84 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.051 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 61.2 p -73.58 -26.64 60.91 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.933 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -73.83 -30.4 62.67 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.28 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.41 HG23 ' O ' ' D' ' 23' ' ' LEU . 77.4 t -72.34 -41.97 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.777 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -72.09 -28.27 63.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.545 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -39.54 66.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.952 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.14 -25.99 52.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.464 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.401 HD13 ' CZ ' ' D' ' 47' ' ' TYR . 31.8 tp -71.61 -41.95 68.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.774 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.13 -31.01 67.2 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.433 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' D' ' 33' ' ' LYS . 3.0 tppt? -69.48 -38.53 77.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.368 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.75 -25.5 61.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.96 -0.563 . . . . 10.0 111.384 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.06 -48.02 71.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.42 20.86 8.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.748 1.018 . . . . 10.0 113.748 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . 0.414 ' HB3' ' OD1' ' D' ' 40' ' ' ASP . 2.0 mmmp? -138.82 100.51 8.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 178.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.734 ' HG2' ' CH2' ' A' ' 5' ' ' TRP . 73.5 Cg_exo -52.58 -76.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.08 2.52 . . . . 10.0 113.767 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . 0.471 ' HB2' HD22 ' A' ' 9' ' ' LEU . 2.5 m -103.67 124.45 48.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.748 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.1 OUTLIER -136.57 119.89 12.13 Favored Pre-proline 0 N--CA 1.448 -0.549 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.687 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 34.5 Cg_endo -66.88 -44.04 6.06 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.201 1.934 . . . . 10.0 110.424 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.595 ' HA ' ' NH1' ' C' ' 58' ' ' ARG . . . -77.75 -56.82 4.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.698 -1.137 . . . . 10.0 113.876 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.4 -39.91 95.79 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.915 1.08 . . . . 10.0 113.915 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.748 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -69.78 -38.39 76.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . 0.615 ' HB2' HD12 ' A' ' 75' ' ' ILE . . . -73.69 -36.38 65.27 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.801 0.334 . . . . 10.0 111.216 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.56 82.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.895 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . 0.401 ' CZ ' HD13 ' D' ' 31' ' ' LEU . 30.2 t80 -69.91 -32.14 70.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.147 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . 0.588 HE22 ' HA ' ' C' ' 62' ' ' SER . 13.1 tt0 -57.8 -47.48 82.45 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.829 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -74.54 -38.62 62.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 10.0 112.114 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 70.3 mmtt -71.87 -29.01 63.92 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tt -74.62 -37.17 62.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.535 0.207 . . . . 10.0 110.53 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 95.2 p -70.07 -28.04 65.11 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.97 -36.97 80.95 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -72.03 -31.38 66.12 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.526 -0.916 . . . . 10.0 108.526 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.85 -39.18 90.95 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.49 -1.232 . . . . 10.0 110.542 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' D' ' 56' ' ' LEU . 0.8 OUTLIER -75.2 -29.58 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.272 0.841 . . . . 10.0 113.272 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -63.2 -41.69 99.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.12 0.486 . . . . 10.0 110.328 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' D' ' 58' ' ' ARG . 0.7 OUTLIER -80.23 -33.9 37.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.391 -179.184 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -76.49 -48.14 20.53 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.31 -36.73 83.07 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.614 0.227 . . . . 10.0 111.614 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.32 -41.84 84.63 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.748 0.308 . . . . 10.0 110.684 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 99.2 p -71.51 -24.7 62.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.769 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -76.45 -39.93 51.96 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.507 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 17.5 p -68.53 -37.96 80.44 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.76 -28.05 26.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.06 0.457 . . . . 10.0 110.197 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.452 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.474 ' HH2' ' HZ2' ' B' ' 50' ' ' LYS . 80.7 t90 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.813 0.339 . . . . 10.0 110.168 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -147.44 138.45 23.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.29 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.27 169.3 22.26 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.077 -0.809 . . . . 10.0 111.077 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -66.91 -32.35 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.007 0.403 . . . . 10.0 111.592 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -74.76 -33.33 62.28 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.971 179.028 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.413 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 20.6 m-20 -72.49 -28.6 63.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.26 -39.93 71.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.473 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.618 HG11 HG21 ' A' ' 64' ' ' THR . 73.3 t -69.32 -35.43 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.501 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 m -66.83 -47.76 71.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.034 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -22.99 63.9 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.462 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -64.77 -48.53 74.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.129 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' ' 20' ' ' VAL . 36.8 m-85 -77.44 -27.97 52.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.656 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -63.5 -50.65 68.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 m -71.95 -23.3 61.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.128 0.489 . . . . 10.0 109.876 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.73 -49.38 43.35 Favored Glycine 0 C--N 1.335 0.503 0 CA-C-N 115.545 -0.752 . . . . 10.0 113.068 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 16' ' ' PHE . 27.3 m -111.42 32.12 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -59.12 -47.58 84.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.76 0.314 . . . . 10.0 111.693 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -94.18 2.62 55.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.962 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -69.2 -40.97 77.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.249 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -58.81 -36.2 74.1 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.104 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -72.93 -27.94 62.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.682 0.277 . . . . 10.0 110.824 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.59 -27.17 60.36 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.765 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 23' ' ' LEU . 46.2 t -68.74 -46.33 79.75 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.365 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -71.37 -25.37 62.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.919 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.27 -44.23 59.66 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.04 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.06 -25.71 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.262 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.84 -35.93 67.34 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.722 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.12 -39.8 82.65 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.945 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -25.75 62.57 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.2 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -31.42 63.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.199 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.97 -28.57 63.52 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.79 8.1 45.34 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.806 0.298 . . . . 10.0 111.806 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.482 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 7.0 mptt -124.6 135.88 27.16 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.563 -0.289 . . . . 10.0 111.773 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 17.1 Cg_exo -69.23 -68.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.915 2.41 . . . . 10.0 111.903 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -142.18 124.21 15.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.899 0.381 . . . . 10.0 111.232 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -137.91 117.34 9.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.666 179.291 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.66 -33.01 56.74 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.637 2.224 . . . . 10.0 112.856 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.07 -46.97 31.17 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . 3.7 mm? -72.29 -22.2 61.24 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.9 tp -74.15 -38.51 63.7 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.804 0.335 . . . . 10.0 110.149 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -32.8 63.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.655 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.91 -42.01 70.47 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.974 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -72.3 -33.65 67.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.859 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -41.65 91.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.129 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.48 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 48.9 m -75.3 -45.6 38.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.72 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.18 -33.11 75.23 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.101 0.778 . . . . 10.0 113.101 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 tp -73.47 -33.3 64.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.026 0.441 . . . . 10.0 110.003 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.3 m -73.84 -33.53 64.15 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.009 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 49' ' ' SER . 42.8 mt-10 -65.37 -37.43 87.01 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.182 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -68.24 -34.12 75.65 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.072 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.7 -44.64 73.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.551 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.6 mm? -70.0 -31.18 68.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -46.33 65.17 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.609 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.53 HH22 ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -67.67 -37.06 81.83 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.359 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 91.9 m-20 -71.49 -26.95 62.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.278 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.21 -32.61 63.1 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.892 0.377 . . . . 10.0 110.579 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -71.74 -47.06 56.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.884 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.53 ' HB3' HH22 ' A' ' 58' ' ' ARG . 26.7 p -71.12 -22.3 62.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.811 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.594 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 1.6 t-20 -76.44 -45.59 30.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.618 HG21 HG11 ' A' ' 12' ' ' VAL . 30.0 p -66.95 -37.81 84.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.893 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.06 -40.89 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.749 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -68.59 -48.41 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.353 0.871 . . . . 10.0 113.353 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 71' ' ' ILE . 24.4 t -68.22 -46.29 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 111.839 0.311 . . . . 10.0 111.839 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.745 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 84.7 t80 -60.63 -35.02 75.14 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.28 0.363 . . . . 10.0 111.845 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.482 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -69.87 -35.47 74.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.647 179.227 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -69.92 -32.45 70.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.536 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.652 HG13 ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -67.46 -54.87 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 CA-C-O 121.112 0.482 . . . . 10.0 110.133 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -59.76 -29.95 68.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.898 -1.046 . . . . 10.0 113.255 -178.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' ' 76' ' ' ILE . . . -78.35 -27.69 47.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.656 0.265 . . . . 10.0 111.443 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.0 -39.91 65.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.551 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.422 HD11 ' NH1' ' C' ' 58' ' ' ARG . 5.1 mt -74.07 -38.28 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.275 0.559 . . . . 10.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 1.094 HD12 HD21 ' D' ' 44' ' ' LEU . 0.1 OUTLIER -63.53 -36.48 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.176 -0.92 . . . . 10.0 111.686 -179.375 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -84.41 -20.58 31.63 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.765 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.41 -17.41 60.19 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.611 ' CZ ' HD23 ' D' ' 51' ' ' LEU . 7.1 t80 -88.3 123.23 32.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.124 -0.943 . . . . 10.0 108.844 177.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.041 -0.98 . . . . 10.0 111.609 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 111.927 -0.469 . . . . 10.0 111.927 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.589 ' O ' HG23 ' B' ' 12' ' ' VAL . 62.4 m-85 -67.0 -36.14 81.51 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.794 0.294 . . . . 10.0 111.794 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -34.74 63.53 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.015 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -71.88 -28.11 63.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.297 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' B' ' 15' ' ' LYS . 38.9 t70 -70.06 -41.45 74.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.943 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.606 HG22 HD11 ' D' ' 31' ' ' LEU . 34.4 t -65.09 -36.2 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.974 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -64.28 -53.59 46.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.137 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 -23.01 64.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.216 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.622 ' HE2' ' HA ' ' D' ' 32' ' ' ASP . 3.2 tptt -62.88 -54.07 44.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.615 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.446 ' O ' HG22 ' B' ' 20' ' ' VAL . 41.7 m-85 -73.61 -27.89 61.52 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.587 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -62.05 -52.84 62.33 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.804 1.039 . . . . 10.0 113.804 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -65.69 -23.14 66.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.222 0.534 . . . . 10.0 110.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.6 -52.77 11.36 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 115.484 -0.78 . . . . 10.0 114.851 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.446 HG22 ' O ' ' B' ' 16' ' ' PHE . 6.8 m -108.86 31.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 111.878 0.325 . . . . 10.0 111.878 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.95 -48.18 82.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.956 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -92.28 -0.21 57.41 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.297 0.48 . . . . 10.0 112.297 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 27' ' ' VAL . 31.3 tp -70.03 -29.67 66.77 Favored 'General case' 0 C--O 1.228 -0.071 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.943 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.61 -35.74 81.69 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.976 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.4 p -72.71 -26.63 61.66 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.261 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.42 -26.91 60.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.753 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 23' ' ' LEU . 29.0 t -69.92 -45.73 75.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.358 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 32.6 p -70.84 -27.96 64.24 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.75 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.57 -43.17 63.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.035 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.13 -26.32 61.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -73.04 -36.29 66.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.822 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.84 -39.46 79.93 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.815 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -27.65 63.61 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.152 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 66.0 tp -74.36 -33.6 63.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.011 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.77 59.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.603 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.67 5.92 43.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.507 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.8 mptt -124.69 139.62 33.69 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.305 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 17.3 Cg_exo -69.27 -56.59 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.854 2.369 . . . . 10.0 111.806 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.97 126.28 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.097 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.18 107.49 9.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.2 -34.85 43.97 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.457 2.104 . . . . 10.0 112.05 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.24 -46.19 35.34 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.991 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.48 -21.06 61.27 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.2 tp -71.85 -40.07 69.27 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.918 0.39 . . . . 10.0 110.147 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.96 -31.78 63.17 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.26 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.8 67.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.813 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -70.48 -33.53 71.34 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.644 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.442 HE21 ' HB3' ' B' ' 48' ' ' GLN . 4.8 tt0 -64.99 -39.14 93.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.42 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 45.9 m -70.57 -47.83 58.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.044 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.474 ' HZ2' ' HH2' ' A' ' 5' ' ' TRP . 57.0 mmtt -66.72 -39.09 87.86 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.89 -44.87 79.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.151 0.5 . . . . 10.0 110.745 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.602 ' O ' HD22 ' B' ' 56' ' ' LEU . 46.4 m -71.5 -30.01 65.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.545 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -63.47 -37.03 85.72 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.981 0.419 . . . . 10.0 110.177 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -67.39 -31.79 72.24 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.169 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.41 -34.88 70.74 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.3 -0.863 . . . . 10.0 110.672 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.602 HD22 ' O ' ' B' ' 52' ' ' SER . 0.0 OUTLIER -70.38 -34.28 72.4 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.897 0.38 . . . . 10.0 110.646 179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -47.75 39.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.006 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 58' ' ' ARG . 0.1 OUTLIER -63.15 -39.49 94.82 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.107 -179.319 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -71.59 -33.59 69.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.58 85.54 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.873 0.368 . . . . 10.0 110.411 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -66.44 -43.73 84.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.766 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 66.8 p -71.79 -29.41 64.44 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.965 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.456 ' O ' HG23 ' B' ' 67' ' ' VAL . 2.5 m-80 -73.7 -41.76 62.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.814 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 41.3 p -69.31 -41.79 76.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 m -72.51 -27.91 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 N-CA-C 112.902 0.704 . . . . 10.0 112.902 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -75.42 -47.57 26.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.674 0.25 . . . . 10.0 111.674 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.674 ' O ' HG13 ' B' ' 71' ' ' ILE . 38.1 t -66.33 -50.64 66.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.736 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . 0.804 ' HA ' HD12 ' B' ' 71' ' ' ILE . 52.8 t80 -57.78 -35.56 70.96 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.501 ' HA ' ' HD3' ' B' ' 69' ' ' LYS . 24.1 mmtm -69.07 -35.12 76.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.649 -0.25 . . . . 10.0 111.615 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.48 -29.61 59.63 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.056 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' B' ' 68' ' ' PHE . 57.2 mt -66.64 -52.95 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.126 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.13 -29.18 68.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.213 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.43 70.54 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.72 0.295 . . . . 10.0 110.754 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.18 -33.24 67.52 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.722 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.645 HG12 ' NH1' ' D' ' 58' ' ' ARG . 8.1 mt -70.67 -39.94 76.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.676 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.7 -38.63 76.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.262 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -76.39 -24.27 54.08 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.636 HD22 ' HB2' ' D' ' 62' ' ' SER . 5.8 m-20 -82.44 -20.29 37.25 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.368 . . . . 10.0 110.849 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.583 179.251 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 32.4 t90 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.943 0.401 . . . . 10.0 110.666 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -145.98 137.68 24.99 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.656 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.97 177.91 19.87 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.84 -0.695 . . . . 10.0 112.076 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -67.29 -33.12 74.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.712 0.292 . . . . 10.0 111.452 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' C' ' 10' ' ' ASP . 0.6 OUTLIER -74.63 -34.4 62.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.894 179.578 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.449 ' N ' ' HG ' ' C' ' 9' ' ' LEU . 17.6 m-20 -72.16 -30.01 64.59 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.404 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.45 -39.18 71.16 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.81 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.475 HG11 HG21 ' C' ' 64' ' ' THR . 84.9 t -71.3 -37.32 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.95 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 68.5 m -66.18 -48.67 69.94 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.029 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.01 65.57 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.678 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' C' ' 15' ' ' LYS . 8.0 tppt? -66.02 -45.77 80.29 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.567 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.524 ' O ' HG22 ' C' ' 20' ' ' VAL . 36.5 m-85 -77.75 -28.94 50.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.862 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -64.88 -43.14 93.9 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.328 0.492 . . . . 10.0 112.328 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -77.13 -25.1 51.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.352 . . . . 10.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.57 -42.45 55.16 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.042 -0.599 . . . . 10.0 112.961 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.524 HG22 ' O ' ' C' ' 16' ' ' PHE . 34.8 m -110.33 30.55 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.25 -49.49 77.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.322 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' C' ' 26' ' ' GLN . 23.5 m-80 -97.72 4.09 50.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.588 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.471 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.1 tm? -70.29 -39.85 74.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.52 -34.48 75.6 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.827 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 42.6 p -73.08 -27.34 61.66 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.579 -0.282 . . . . 10.0 110.715 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' C' ' 22' ' ' ASN . 31.7 mm-40 -75.85 -25.43 56.2 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.642 178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.471 HG23 ' O ' ' C' ' 23' ' ' LEU . 64.2 t -69.42 -46.68 75.86 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.051 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.396 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 24.7 p -70.68 -25.46 62.99 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.342 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.477 ' O ' ' HD2' ' C' ' 33' ' ' LYS . 4.8 mm-40 -72.63 -44.83 61.4 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.229 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.46 60.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.96 0.41 . . . . 10.0 110.774 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 60.3 tp -72.83 -36.88 67.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.812 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.63 -34.1 73.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.16 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.621 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 0.1 OUTLIER -70.77 -41.65 71.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.312 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' C' ' 34' ' ' LEU . 0.2 OUTLIER -71.41 -26.38 62.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.359 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.5 -35.12 69.81 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.526 0.565 . . . . 10.0 112.526 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.39 24.49 8.66 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.621 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 0.2 OUTLIER -115.13 127.86 26.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.0 178.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.21 -74.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.452 2.768 . . . . 10.0 113.897 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 58.4 m -147.92 125.81 11.98 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.476 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.73 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 1.9 m-20 -133.02 110.05 12.92 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.753 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -64.24 -34.54 55.87 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.248 1.966 . . . . 10.0 111.503 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -43.05 52.28 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.752 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.8 mm? -72.38 -24.09 61.21 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 35.3 tp -72.82 -38.73 67.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.853 0.359 . . . . 10.0 110.583 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.85 -32.57 63.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.762 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.78 -36.86 65.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.331 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -72.53 -40.63 66.6 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -68.24 -33.05 73.69 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 68.7 m -76.52 -42.8 41.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.3 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.96 -31.57 69.36 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 51.3 tp -75.21 -34.17 61.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.328 . . . . 10.0 110.606 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 69.6 m -73.38 -31.09 63.71 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.95 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -63.2 -36.22 82.9 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.624 -0.88 . . . . 10.0 108.624 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' C' ' 58' ' ' ARG . 70.9 t80 -67.75 -38.23 83.19 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.547 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.83 -44.2 81.74 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.414 -0.812 . . . . 10.0 111.652 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.3 mm? -73.68 -38.43 64.91 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.2 0.815 . . . . 10.0 113.2 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . 0.436 ' HD1' ' HB3' ' C' ' 16' ' ' PHE . 0.0 OUTLIER -65.46 -43.06 91.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.184 0.516 . . . . 10.0 110.376 179.392 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.488 HH11 ' HB3' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -70.61 -45.26 65.59 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.393 -0.821 . . . . 10.0 111.911 -178.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' C' ' 63' ' ' ASN . 79.3 m-20 -65.06 -23.16 67.1 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.588 0.232 . . . . 10.0 111.193 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.3 58.55 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.285 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.606 ' O ' HG23 ' C' ' 65' ' ' VAL . 18.5 mm-40 -67.59 -50.2 59.43 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.426 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . 0.434 ' HB3' HH22 ' C' ' 58' ' ' ARG . 11.0 p -67.74 -26.37 66.1 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.214 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' C' ' 59' ' ' ASN . 1.4 t-20 -72.25 -50.27 28.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.768 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . 0.475 HG21 HG11 ' C' ' 12' ' ' VAL . 28.8 p -63.33 -37.27 86.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.648 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.69 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 71.9 t -61.52 -62.6 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.873 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -43.9 79.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 114.472 1.286 . . . . 10.0 114.472 -178.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.02 -46.02 97.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.265 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -68.61 -34.61 76.07 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.502 -0.317 . . . . 10.0 111.733 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.69 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 11.3 mmpt? -70.75 -35.47 72.67 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.508 0.194 . . . . 10.0 111.333 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -71.22 -32.66 69.07 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.58 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 98.4 mt -70.44 -46.45 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.143 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -30.46 70.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.327 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.99 -27.8 49.12 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.471 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.13 -40.26 62.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.867 0.365 . . . . 10.0 110.897 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 57.2 mt -74.64 -33.93 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.677 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 3.3 tp -70.0 -32.32 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.031 -0.531 . . . . 10.0 112.248 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -83.54 -21.28 32.75 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.844 0.354 . . . . 10.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--O 1.233 0.199 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.114 178.872 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.608 0.242 . . . . 10.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.59 67.67 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.325 -0.398 . . . . 10.0 112.053 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' D' ' 15' ' ' LYS . 23.2 mmtp -67.94 -42.35 81.1 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.753 0.311 . . . . 10.0 111.162 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.462 ' O ' HG22 ' D' ' 20' ' ' VAL . 29.3 m-85 -78.16 -33.86 50.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.798 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -64.9 -50.55 66.08 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.195 0.442 . . . . 10.0 112.195 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.5 m -77.95 -23.65 48.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.923 0.392 . . . . 10.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.08 -50.57 39.2 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.927 -0.579 . . . . 10.0 113.327 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.462 HG22 ' O ' ' D' ' 16' ' ' PHE . 35.9 m -110.59 33.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.97 0.414 . . . . 10.0 111.494 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.37 -40.15 85.58 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.679 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -91.55 -0.48 57.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.845 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.476 ' O ' HG23 ' D' ' 27' ' ' VAL . 14.7 tp -70.49 -33.75 71.58 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.661 -0.245 . . . . 10.0 110.856 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.7 -36.38 83.46 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.651 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 61.5 p -73.12 -26.82 61.37 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.759 0.314 . . . . 10.0 110.797 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -75.22 -27.87 59.71 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.213 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.476 HG23 ' O ' ' D' ' 23' ' ' LEU . 88.8 t -72.4 -41.95 64.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.611 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.1 p -71.52 -24.89 62.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.565 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.23 -46.72 48.63 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.653 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.06 -30.72 68.05 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.944 0.402 . . . . 10.0 110.932 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.606 HD11 HG22 ' B' ' 12' ' ' VAL . 26.5 tp -68.36 -36.34 79.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . 0.622 ' HA ' ' HE2' ' B' ' 15' ' ' LYS . 32.1 t70 -70.03 -36.36 74.98 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.651 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -25.53 62.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.468 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' D' ' 34' ' ' LEU . 12.0 mt -66.29 -24.1 66.49 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.696 0.999 . . . . 10.0 113.696 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' B' ' 15' ' ' LYS . . . -50.88 -55.65 16.05 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.71 22.87 12.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.273 0.842 . . . . 10.0 113.273 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . 0.508 ' HB3' ' OD2' ' D' ' 40' ' ' ASP . 15.5 mmtp -126.28 100.43 29.56 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 114.927 -1.033 . . . . 10.0 108.599 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -62.06 -74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.479 2.786 . . . . 10.0 113.46 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -120.35 123.88 44.17 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.801 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 6.6 m-20 -138.6 135.63 18.15 Favored Pre-proline 0 C--O 1.22 -0.483 0 N-CA-C 114.03 1.122 . . . . 10.0 114.03 -177.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.745 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 49.3 Cg_endo -71.4 -46.14 0.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.994 2.463 . . . . 10.0 111.313 176.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.24 -53.42 7.34 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-N 115.098 -0.955 . . . . 10.0 113.201 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' D' ' 40' ' ' ASP . 3.4 mm? -59.01 -29.63 67.39 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 1.094 HD21 HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -79.28 -33.97 42.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.923 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . 0.431 ' HB2' ' NE ' ' C' ' 58' ' ' ARG . . . -68.66 -45.64 71.22 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.502 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.24 91.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.953 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -71.24 -33.98 70.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.985 0.365 . . . . 10.0 111.985 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . 0.433 HE21 ' HB3' ' D' ' 48' ' ' GLN . 0.0 OUTLIER -65.89 -45.43 82.04 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 10.0 111.366 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 28.5 m -76.41 -40.6 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . 0.476 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 63.5 mmtt -68.37 -32.51 72.65 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.611 HD23 ' CZ ' ' A' ' 79' ' ' PHE . 13.0 tp -73.76 -35.37 64.99 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.981 -0.288 . . . . 10.0 110.622 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 55.0 m -74.3 -29.86 61.82 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.464 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -68.24 -36.95 80.27 Favored 'General case' 0 N--CA 1.46 0.053 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -69.91 -31.37 69.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.987 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -64.77 -55.09 21.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.357 -0.838 . . . . 10.0 112.459 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.28 -27.22 63.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.206 0.817 . . . . 10.0 113.206 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -44.99 95.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 10.0 109.875 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . 0.711 HH22 ' HB3' ' D' ' 62' ' ' SER . 0.0 OUTLIER -75.58 -39.33 58.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.796 -179.549 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' D' ' 63' ' ' ASN . 96.3 m-20 -67.05 -29.5 69.32 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.789 0.292 . . . . 10.0 111.789 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.13 -30.17 55.03 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.544 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -69.44 -48.52 60.63 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.887 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . 0.711 ' HB3' HH22 ' D' ' 58' ' ' ARG . 39.1 p -71.32 -20.12 62.23 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.728 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' D' ' 59' ' ' ASN . 14.6 t-20 -76.25 -47.03 25.32 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -64.25 -37.94 89.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.693 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 60.1 t -69.43 -34.2 61.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.475 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 tptp . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.871 -179.709 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.6 t90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.676 0.274 . . . . 10.0 110.795 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -110.33 152.57 26.05 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.93 143.37 8.88 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.703 -0.76 . . . . 10.0 113.737 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 12' ' ' VAL . 15.9 m-85 -67.4 -33.05 74.38 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.869 0.366 . . . . 10.0 110.797 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.743 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -65.23 -38.36 90.13 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.879 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -73.03 -28.58 62.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.907 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.64 -36.64 78.88 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.539 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 8' ' ' TYR . 34.3 t -71.38 -37.13 63.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 120.857 0.36 . . . . 10.0 110.635 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -67.47 -42.3 83.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.497 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.51 -22.88 62.58 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.912 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 15' ' ' LYS . 6.2 tppt? -63.28 -49.32 74.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.569 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.454 ' O ' HG22 ' A' ' 20' ' ' VAL . 26.5 m-85 -67.48 -31.68 71.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.941 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.99 -38.42 90.9 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 m -58.62 -36.9 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 10.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.58 -37.18 35.87 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.087 -0.578 . . . . 10.0 113.172 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 16' ' ' PHE . 32.7 m -98.36 26.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.25 -56.1 25.69 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.861 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -86.29 -8.17 57.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.274 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.537 HD11 ' HD2' ' A' ' 50' ' ' LYS . 56.9 tp -70.94 -39.2 72.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.418 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -66.43 -30.37 70.72 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.904 0.383 . . . . 10.0 110.857 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -72.86 -28.43 62.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.989 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -76.98 -24.5 52.26 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.184 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 23' ' ' LEU . 48.7 t -71.09 -45.51 71.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.112 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -72.84 -29.07 62.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.425 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -37.19 65.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.763 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.04 -24.56 52.03 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.745 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.6 tp -71.23 -44.86 64.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.374 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.97 -32.21 69.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.689 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -70.32 -38.44 74.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.174 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -71.08 -26.26 62.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.208 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.59 -22.68 61.69 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.661 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.1 10.78 25.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.196 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 42.0 mmtm -124.64 123.32 25.71 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.392 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.54 -68.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.929 2.42 . . . . 10.0 111.726 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 m -129.84 123.08 29.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.082 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.766 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -138.27 103.58 7.98 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.402 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 27.1 Cg_endo -63.92 -39.25 33.83 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.366 2.044 . . . . 10.0 112.09 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.56 -42.7 51.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.207 -0.452 . . . . 10.0 112.105 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.766 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 3.3 mm? -70.56 -26.09 63.38 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.239 0.459 . . . . 10.0 112.239 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 tp -77.19 -32.6 56.19 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.681 0.277 . . . . 10.0 110.645 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.06 -37.61 78.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.898 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 50' ' ' LYS . . . -73.44 -38.03 65.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.583 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -66.62 -42.61 86.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.45 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -68.01 -37.88 81.93 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.219 0.452 . . . . 10.0 112.219 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t -73.16 -41.63 63.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.481 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.537 ' HD2' HD11 ' A' ' 23' ' ' LEU . 74.2 mmtt -74.23 -24.89 59.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.379 0.511 . . . . 10.0 112.379 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 tp -73.91 -38.27 64.38 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.889 0.376 . . . . 10.0 110.155 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.3 p -72.6 -29.48 63.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.506 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.23 -36.11 78.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.913 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.1 -34.35 77.86 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.937 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -64.9 -37.96 89.38 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.089 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.9 mm? -70.4 -30.96 67.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.558 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.89 -50.76 46.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.901 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.496 HH12 ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -69.73 -36.94 76.29 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.031 0.382 . . . . 10.0 112.031 -179.192 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.42 -37.75 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.94 76.08 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.688 0.28 . . . . 10.0 111.257 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -69.87 -43.74 71.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.301 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB3' HH12 ' A' ' 58' ' ' ARG . 77.0 p -71.03 -25.26 62.58 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 67' ' ' VAL . 86.8 m-20 -76.71 -41.3 45.76 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 p -70.25 -36.68 74.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.951 0.352 . . . . 10.0 111.951 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.74 -28.63 27.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -74.98 -47.94 26.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.822 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.5 t -64.18 -50.07 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 111.883 0.327 . . . . 10.0 111.883 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 71' ' ' ILE . 5.8 m-85 -55.83 -34.72 65.65 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.429 0.456 . . . . 10.0 112.143 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HE3' ' OG ' ' D' ' 39' ' ' SER . 0.1 OUTLIER -68.86 -40.64 79.19 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.578 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -66.49 -35.2 79.67 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.546 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.662 HG22 HD11 ' A' ' 75' ' ' ILE . 36.7 mt -60.5 -55.22 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.27 -33.63 73.87 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.18 -0.918 . . . . 10.0 112.789 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.45 74.87 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.9 -46.76 33.77 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.67 HG22 HD23 ' D' ' 44' ' ' LEU . 26.3 mt -59.98 -50.98 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.594 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.59 ' CD1' HD21 ' D' ' 44' ' ' LEU . 4.4 mm -57.14 -38.54 61.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -58.12 -32.13 67.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.995 -0.548 . . . . 10.0 112.128 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -91.19 -25.24 19.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.505 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.636 ' HA ' ' NE2' ' D' ' 48' ' ' GLN . 0.0 OUTLIER -73.86 154.96 39.24 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.59 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.997 ' HD3' HD13 ' D' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 C-N-CA 120.347 -0.541 . . . . 10.0 109.656 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 N-CA-C 112.639 -0.184 . . . . 10.0 112.639 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -66.91 -36.49 82.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.708 0.29 . . . . 10.0 111.706 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -36.4 78.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.203 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.82 -27.52 62.97 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.883 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.73 -40.09 76.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.549 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.84 HG11 HG21 ' B' ' 64' ' ' THR . 7.4 t -67.14 -35.58 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.991 0.424 . . . . 10.0 110.871 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -69.78 -32.34 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.169 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -37.05 71.9 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.613 -0.721 . . . . 10.0 112.5 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -68.48 -34.84 76.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.416 0.524 . . . . 10.0 112.416 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.456 ' O ' HG22 ' B' ' 20' ' ' VAL . 12.9 m-85 -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.45 -39.04 88.63 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.17 -0.923 . . . . 10.0 113.264 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 15.7 m -54.71 -35.76 64.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.921 0.391 . . . . 10.0 111.303 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.58 -45.98 12.6 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.975 -0.631 . . . . 10.0 113.521 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.456 HG22 ' O ' ' B' ' 16' ' ' PHE . 35.7 m -94.6 29.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.94 0.4 . . . . 10.0 111.247 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.43 -54.44 43.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.939 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -84.78 -9.87 57.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.086 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 27' ' ' VAL . 37.2 tp -71.03 -34.7 71.54 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.204 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.04 -33.0 73.76 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.969 0.414 . . . . 10.0 110.795 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -72.67 -27.11 61.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.074 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -77.11 -25.95 52.73 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.217 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 23' ' ' LEU . 61.7 t -71.85 -43.69 68.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.881 0.372 . . . . 10.0 110.083 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 23.8 p -73.37 -27.71 61.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.058 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.94 -36.05 62.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.108 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.42 51.63 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.974 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.5 tp -71.7 -44.83 63.52 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.157 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.83 -31.75 68.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.485 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 0.4 OUTLIER -71.06 -36.51 72.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.093 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.3 OUTLIER -71.04 -28.17 64.19 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.56 -17.63 60.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.195 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.83 6.22 29.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.3 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 39.9 mmtm -121.96 130.9 24.54 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 24.0 Cg_exo -65.58 -63.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.75 2.3 . . . . 10.0 111.128 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.7 m -142.77 123.72 14.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.883 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 0.3 OUTLIER -137.35 103.22 8.73 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.46 -179.733 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 26.8 Cg_endo -64.04 -35.86 51.69 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.461 2.107 . . . . 10.0 112.03 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.59 -42.22 59.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.447 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.741 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.5 mm? -72.53 -22.91 60.95 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.668 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 tp -79.08 -35.76 41.9 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.665 0.269 . . . . 10.0 110.406 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.79 80.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.056 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.49 64.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.825 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -71.96 -42.4 66.62 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.191 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -68.37 -35.64 78.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.719 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.484 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 46.6 t -72.11 -42.39 66.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.206 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -79.69 -18.97 50.07 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.897 0.703 . . . . 10.0 112.897 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 45.5 tp -74.04 -40.15 63.04 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.424 -0.954 . . . . 10.0 108.424 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.6 p -74.03 -27.67 61.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.883 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.659 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 32.6 mt-10 -66.89 -36.65 82.77 Favored 'General case' 0 N--CA 1.461 0.08 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.658 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.8 -32.16 73.53 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -68.63 -36.02 78.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.193 -0.912 . . . . 10.0 110.75 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' B' ' 53' ' ' GLU . 3.8 pp -72.6 -28.59 62.88 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.638 -0.425 . . . . 10.0 111.271 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -55.63 5.99 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.995 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 58' ' ' ARG . 0.3 OUTLIER -64.58 -38.02 89.56 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.073 0.397 . . . . 10.0 112.073 -178.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -76.85 -18.92 58.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.836 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.67 -53.48 11.64 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.404 ' O ' HG12 ' B' ' 65' ' ' VAL . 1.5 tt0 -58.86 -32.42 69.44 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.295 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 43.7 t -67.12 -43.14 83.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.057 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.552 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 81.0 m-20 -76.01 -31.09 58.74 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.84 HG21 HG11 ' B' ' 12' ' ' VAL . 2.2 m -64.27 -50.87 66.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.914 0.388 . . . . 10.0 111.256 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' B' ' 69' ' ' LYS . 11.3 p -72.01 -23.63 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.63 -0.713 . . . . 10.0 112.0 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -69.8 -50.92 38.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.014 0.746 . . . . 10.0 113.014 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -80.87 -34.14 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' B' ' 71' ' ' ILE . 2.5 t80 -62.93 -32.43 73.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 10.0 110.013 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' B' ' 65' ' ' VAL . 6.1 tptm -73.2 -38.66 66.03 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.646 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.26 -34.62 76.53 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' B' ' 68' ' ' PHE . 48.8 mt -62.58 -43.42 98.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . 0.717 ' HA ' HD12 ' B' ' 75' ' ' ILE . 18.9 t70 -72.1 -24.08 61.43 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.331 -0.85 . . . . 10.0 112.169 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.93 98.99 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.861 0.363 . . . . 10.0 110.546 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.77 -37.0 79.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.228 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' B' ' 72' ' ' ASP . 95.7 mt -60.42 -51.09 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.313 -0.858 . . . . 10.0 111.828 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.19 -31.34 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -68.64 -32.54 72.48 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.832 0.308 . . . . 10.0 111.832 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -91.02 -21.04 21.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.874 0.368 . . . . 10.0 111.37 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.269 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 25.0 t90 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.952 0.406 . . . . 10.0 111.518 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -111.43 147.48 35.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.813 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.43 146.61 13.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.717 -0.754 . . . . 10.0 112.563 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . 0.412 ' O ' HG23 ' C' ' 12' ' ' VAL . 7.5 m-85 -67.07 -31.33 71.76 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.927 0.343 . . . . 10.0 111.927 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.583 ' H ' HD23 ' C' ' 9' ' ' LEU . 0.6 OUTLIER -69.18 -35.1 75.92 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.383 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.23 -27.83 62.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.685 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -70.34 -38.53 74.86 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.545 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.468 ' O ' ' HB2' ' C' ' 15' ' ' LYS . 21.6 t -67.91 -40.59 83.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.902 0.382 . . . . 10.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -64.56 -36.92 85.77 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.098 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.48 -23.41 61.03 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.127 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' C' ' 12' ' ' VAL . 37.9 mmtm -62.65 -47.73 82.41 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.952 0.405 . . . . 10.0 110.192 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.411 ' O ' HG22 ' C' ' 20' ' ' VAL . 31.6 m-85 -70.19 -30.66 67.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.245 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -64.8 -38.5 91.21 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 10.6 m -60.45 -38.96 85.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.823 0.344 . . . . 10.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.15 -33.16 50.43 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.01 -0.615 . . . . 10.0 113.012 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.411 HG22 ' O ' ' C' ' 16' ' ' PHE . 18.5 m -100.29 23.67 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.49 -55.96 28.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.636 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -89.21 -7.56 55.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.302 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.506 HD11 ' HD2' ' C' ' 50' ' ' LYS . 42.3 tp -70.9 -40.57 72.1 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -66.01 -29.55 69.94 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.861 0.362 . . . . 10.0 111.055 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.3 m -71.77 -30.74 65.88 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.7 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -75.8 -25.21 56.18 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.999 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 23' ' ' LEU . 82.0 t -68.47 -47.11 78.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.321 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 23.7 p -72.91 -27.94 62.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.647 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.85 -39.11 64.23 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.096 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.83 -24.11 55.8 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.713 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 tp -73.04 -44.23 61.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.499 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.87 -31.77 68.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.809 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' C' ' 33' ' ' LYS . 0.4 OUTLIER -68.52 -48.7 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.584 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.63 -25.69 65.86 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.495 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.78 66.0 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.92 23.76 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.771 0.656 . . . . 10.0 112.771 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.446 ' HA ' ' HD2' ' C' ' 38' ' ' PRO . 37.5 mmtm -118.05 111.02 39.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.514 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' C' ' 37' ' ' LYS . 10.1 Cg_endo -53.66 -65.19 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.204 2.602 . . . . 10.0 112.704 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -137.65 122.01 18.24 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.017 0.437 . . . . 10.0 110.907 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.756 ' HB3' ' HB2' ' C' ' 43' ' ' LEU . 0.6 OUTLIER -139.14 101.75 7.58 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.665 179.467 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.31 -35.42 62.52 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.434 2.089 . . . . 10.0 112.114 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -40.9 57.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.539 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.756 ' HB2' ' HB3' ' C' ' 40' ' ' ASP . 3.8 mm? -72.36 -26.64 61.98 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.181 0.437 . . . . 10.0 112.181 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 tp -76.16 -34.26 59.38 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.66 0.267 . . . . 10.0 110.887 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.11 73.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.22 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.51 -33.67 64.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.855 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -69.2 -44.11 72.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -69.33 -33.23 72.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.819 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 45.0 t -74.55 -42.03 59.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.508 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . 0.506 ' HD2' HD11 ' C' ' 23' ' ' LEU . 73.6 mmtt -75.09 -26.52 59.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.34 -37.71 63.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.702 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 94.3 p -70.24 -30.07 67.04 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.157 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.83 -35.97 79.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.771 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -64.23 -30.87 71.91 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.457 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -69.26 -42.51 75.47 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.214 -0.903 . . . . 10.0 111.616 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.0 OUTLIER -72.11 -29.52 64.16 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.727 0.64 . . . . 10.0 112.727 -179.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -51.34 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 10.0 111.127 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.762 ' NH2' ' HA ' ' D' ' 45' ' ' ALA . 0.0 OUTLIER -70.37 -35.03 73.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.017 -178.324 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -69.98 -30.03 67.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.697 0.284 . . . . 10.0 110.657 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.51 73.44 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.307 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.82 -49.49 68.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.382 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . 0.694 ' HB3' HH12 ' C' ' 58' ' ' ARG . 21.8 p -66.15 -25.84 67.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.661 0.267 . . . . 10.0 111.404 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -73.11 -50.43 22.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.161 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 19.9 p -65.98 -37.53 86.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.519 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.622 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 25.2 t -61.72 -45.55 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.788 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -74.85 -43.1 56.31 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.1 0.778 . . . . 10.0 113.1 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.75 -56.4 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 112.188 0.44 . . . . 10.0 112.188 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -63.87 -24.52 67.77 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.704 0.288 . . . . 10.0 111.635 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.622 ' HB2' ' O ' ' C' ' 65' ' ' VAL . 0.0 OUTLIER -72.73 -37.93 67.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 179.714 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -71.87 -38.23 70.07 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.845 0.355 . . . . 10.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.68 -47.66 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.15 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.91 -27.98 67.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.834 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.94 98.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.715 0.293 . . . . 10.0 111.314 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.09 62.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.23 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 86.7 mt -68.44 -52.82 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.048 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.8 pp -66.95 -26.1 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -70.92 -31.94 68.71 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.814 0.34 . . . . 10.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 121.09 0.472 . . . . 10.0 110.188 178.486 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.632 0.253 . . . . 10.0 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.0 64.19 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.671 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -68.09 -39.3 82.9 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.606 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.469 ' O ' HG22 ' D' ' 20' ' ' VAL . 26.7 m-85 -71.76 -33.43 68.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.274 178.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.82 -38.46 91.04 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.213 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -59.21 -37.55 77.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.293 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.69 -36.36 43.15 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.947 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.469 HG22 ' O ' ' D' ' 16' ' ' PHE . 33.9 m -99.39 28.73 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 120.75 0.31 . . . . 10.0 111.751 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.92 -53.18 60.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.385 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -88.0 -7.87 56.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.293 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.458 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.2 OUTLIER -71.02 -42.52 69.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.61 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -65.8 -29.82 70.36 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 5.0 m -73.62 -29.82 62.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.539 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -77.32 -24.79 50.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.155 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.458 HG23 ' O ' ' D' ' 23' ' ' LEU . 96.5 t -73.44 -40.82 56.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.847 0.356 . . . . 10.0 110.11 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 18.7 p -75.96 -26.53 56.9 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.177 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -37.18 61.84 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.341 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.27 -23.83 51.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.255 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.64 -49.24 66.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.349 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.95 -31.27 67.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.063 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -36.21 76.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.402 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.551 HD21 HD12 ' D' ' 44' ' ' LEU . 0.2 OUTLIER -72.58 -26.3 61.66 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.994 0.426 . . . . 10.0 110.206 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.22 -25.67 68.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.652 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.48 24.67 9.78 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -143.69 109.2 5.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.659 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -73.79 -72.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.299 2.0 . . . . 10.0 111.796 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . 0.577 ' OG ' ' HE3' ' A' ' 69' ' ' LYS . 9.6 m -83.38 123.32 29.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.68 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 8.7 m-20 -137.85 89.45 15.05 Favored Pre-proline 0 N--CA 1.452 -0.328 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.509 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 24.1 Cg_endo -65.83 -47.67 3.6 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 121.451 1.434 . . . . 10.0 111.608 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.01 -53.28 6.56 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.49 1.293 . . . . 10.0 114.49 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -33.49 70.19 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.68 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.9 OUTLIER -67.02 -29.47 69.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . 0.762 ' HA ' ' NH2' ' C' ' 58' ' ' ARG . . . -58.04 -39.35 78.17 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.499 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.57 -45.19 54.79 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.806 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -59.7 -49.94 75.79 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . 0.636 ' NE2' ' HA ' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -61.87 -46.03 91.17 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 22.6 t -72.88 -38.99 66.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -76.94 -23.17 52.42 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.997 HD13 ' HD3' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -68.08 -51.11 50.24 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.424 -0.954 . . . . 10.0 108.424 177.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . 0.519 ' N ' ' HG ' ' D' ' 51' ' ' LEU . 60.7 p -62.42 -30.33 71.15 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.771 -1.104 . . . . 10.0 110.998 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.77 -36.48 80.57 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.617 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . 0.46 ' HB3' ' O ' ' D' ' 51' ' ' LEU . 34.7 t80 -62.68 -33.2 74.59 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.311 -0.859 . . . . 10.0 109.854 178.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -60.58 -47.62 85.41 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.205 -0.907 . . . . 10.0 112.249 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' D' ' 56' ' ' LEU . 1.5 mm? -71.27 -28.01 63.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.565 0.95 . . . . 10.0 113.565 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -58.47 -50.95 71.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.829 0.347 . . . . 10.0 110.62 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' D' ' 58' ' ' ARG . 5.2 mmm180 -81.1 -36.39 30.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.434 0.901 . . . . 10.0 113.434 -178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.06 -51.49 31.58 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.62 -32.85 74.45 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.787 -0.188 . . . . 10.0 111.335 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . 0.482 ' O ' HG23 ' D' ' 65' ' ' VAL . 1.5 tm0? -65.79 -44.63 85.18 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.596 0.236 . . . . 10.0 110.536 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . 0.405 ' HB3' HH12 ' D' ' 58' ' ' ARG . 84.2 p -70.45 -25.84 63.37 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.952 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.98 -48.18 54.7 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.823 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 35.8 p -64.73 -37.15 86.61 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.843 0.682 . . . . 10.0 112.843 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . 0.482 HG23 ' O ' ' D' ' 61' ' ' GLN . 77.3 t -62.27 -38.4 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.067 0.46 . . . . 10.0 110.065 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 tptp . . . . . 0 CA--C 1.53 0.206 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.761 -179.719 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.3 t90 . . . . . 0 C--O 1.234 0.25 0 N-CA-C 109.895 -0.409 . . . . 10.0 109.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 p -157.32 142.79 17.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.989 0.423 . . . . 10.0 111.702 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.51 ' H ' ' HB3' ' A' ' 10' ' ' ASP . . . -162.21 -171.93 28.98 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.71 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 57.4 m-85 -67.45 -38.04 83.87 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 117.11 0.455 . . . . 10.0 110.897 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.71 -38.61 83.83 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.079 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.51 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 37.0 t70 -72.53 -31.53 65.39 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.941 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.03 -36.84 80.59 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.59 HG22 HD21 ' C' ' 31' ' ' LEU . 86.6 t -69.3 -41.23 80.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.29 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.7 m -67.08 -40.88 87.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.024 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.92 -24.46 59.68 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.957 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.855 ' HE3' ' HA ' ' C' ' 32' ' ' ASP . 15.7 tptp -67.36 -41.57 84.87 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.327 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.508 ' O ' HG22 ' A' ' 20' ' ' VAL . 34.6 m-85 -72.13 -32.0 66.52 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.026 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -65.46 -47.5 75.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.375 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -70.63 -23.55 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.909 0.385 . . . . 10.0 110.328 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.46 -36.26 62.9 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.925 -0.58 . . . . 10.0 112.778 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.604 HG12 HD21 ' A' ' 23' ' ' LEU . 35.2 m -119.86 31.01 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 111.807 0.299 . . . . 10.0 111.807 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -75.14 1.53 13.05 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -114.7 -40.79 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.817 0.303 . . . . 10.0 111.817 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.6 pp -69.74 -21.61 63.44 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 112.886 0.699 . . . . 10.0 112.886 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.8 -50.39 73.44 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.864 0.364 . . . . 10.0 110.97 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 t -70.99 -27.2 63.53 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.29 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -68.15 -28.93 67.72 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.173 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 23' ' ' LEU . 51.4 t -70.02 -46.47 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.943 0.401 . . . . 10.0 109.934 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -65.17 -41.43 94.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.381 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -65.88 -38.48 88.89 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.386 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.82 -24.5 60.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.217 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 tp -72.92 -39.76 66.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.545 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -70.42 -37.04 74.37 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.873 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -71.56 -28.31 63.76 Favored 'General case' 0 CA--C 1.527 0.09 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.302 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -69.43 -42.51 74.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.34 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.9 -16.17 60.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.153 -0.476 . . . . 10.0 112.09 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.26 0.46 43.18 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -124.45 130.77 24.2 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.545 -0.298 . . . . 10.0 111.333 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.81 -61.55 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.856 2.37 . . . . 10.0 111.58 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 p -133.66 124.78 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.126 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.626 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.4 99.3 9.72 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 -179.213 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 28.4 Cg_endo -64.36 -39.02 31.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.438 2.092 . . . . 10.0 112.43 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.87 -42.84 57.14 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.195 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.626 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.8 mm? -71.61 -23.59 61.73 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.8 tp -74.74 -40.41 61.28 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.523 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.19 77.17 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.785 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.36 -41.79 66.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.751 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -67.47 -33.45 75.14 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.009 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.98 -48.97 79.35 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.08 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -71.64 -40.44 69.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.676 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -65.74 -35.32 80.4 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -72.91 -34.22 66.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.944 0.402 . . . . 10.0 110.515 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 m -73.8 -31.62 63.34 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.985 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -67.67 -36.85 81.48 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.867 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -68.34 -32.44 72.55 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -68.98 -43.32 75.14 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.499 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.3 mm? -67.1 -31.08 71.32 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.207 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -43.62 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.586 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -73.02 -31.49 64.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.108 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -72.61 -47.25 49.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.231 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.05 -31.22 71.6 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.373 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' HG23 ' A' ' 65' ' ' VAL . 32.7 tt0 -72.31 -43.54 64.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -64.74 -28.63 69.72 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.62 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -73.65 -39.97 64.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.405 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.6 p -69.57 -37.56 77.03 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.482 0.549 . . . . 10.0 112.482 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 61' ' ' GLN . 24.8 t -68.15 -36.55 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.117 0.484 . . . . 10.0 110.401 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -70.46 -47.83 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.3 t -69.77 -46.55 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 114.269 1.211 . . . . 10.0 114.269 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.862 ' HE2' ' HB2' ' D' ' 39' ' ' SER . 79.2 t80 -57.36 -38.45 74.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.412 0.625 . . . . 10.0 110.544 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -68.83 -35.07 76.51 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.195 -0.911 . . . . 10.0 110.723 178.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.88 -28.34 63.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.51 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 67' ' ' VAL . 24.2 mt -61.59 -56.67 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.609 0.718 . . . . 10.0 109.83 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.742 ' HA ' HD12 ' A' ' 75' ' ' ILE . 15.6 m-20 -65.24 -26.63 68.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.521 -1.218 . . . . 10.0 112.925 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.2 92.89 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.776 0.322 . . . . 10.0 111.022 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.64 75.46 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.181 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 72' ' ' ASP . 14.9 mt -70.15 -35.39 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.469 0.652 . . . . 10.0 110.275 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.515 HD12 HD21 ' D' ' 44' ' ' LEU . 1.0 OUTLIER -62.43 -33.27 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.946 -1.025 . . . . 10.0 111.414 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.444 ' HG2' HG22 ' A' ' 76' ' ' ILE . 12.9 mm100 -78.63 -32.1 47.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.468 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' A' ' 75' ' ' ILE . 1.9 p-10 -88.65 2.79 52.56 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.244 0.545 . . . . 10.0 109.933 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.778 ' HA ' HE21 ' D' ' 48' ' ' GLN . 2.4 t80 -56.65 -83.75 0.01 OUTLIER 'General case' 0 C--N 1.343 0.296 0 CA-C-N 114.731 -1.122 . . . . 10.0 109.573 177.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.456 ' H ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.255 -0.879 . . . . 10.0 111.098 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.165 -0.374 . . . . 10.0 112.165 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' B' ' 12' ' ' VAL . 79.6 m-85 -67.14 -34.53 77.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 10.0 111.3 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.0 -39.02 72.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.303 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.63 -31.64 67.09 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.264 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.89 -36.94 81.1 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.348 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.542 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 86.9 t -67.81 -37.25 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.184 0.516 . . . . 10.0 110.25 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.3 m -70.01 -36.96 75.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.239 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.47 60.45 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.728 0.64 . . . . 10.0 112.728 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.854 ' HZ3' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -63.32 -40.05 96.25 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.795 0.331 . . . . 10.0 111.389 -179.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.55 ' O ' HG22 ' B' ' 20' ' ' VAL . 37.7 m-85 -75.63 -31.41 59.83 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.715 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.01 -52.5 59.24 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 112.797 0.665 . . . . 10.0 112.797 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -67.77 -22.47 65.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.356 0.598 . . . . 10.0 109.509 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.11 -44.75 53.39 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.168 -0.924 . . . . 10.0 115.179 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.701 HG12 HD21 ' B' ' 23' ' ' LEU . 22.7 m -115.44 29.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.153 0.501 . . . . 10.0 111.239 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.9 -19.19 63.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.487 -0.779 . . . . 10.0 111.912 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.6 -41.45 10.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.701 HD21 HG12 ' B' ' 20' ' ' VAL . 4.4 pp -68.71 -21.63 64.39 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 113.267 0.839 . . . . 10.0 113.267 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 96.0 mt-30 -57.67 -50.35 73.48 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.807 0.337 . . . . 10.0 111.171 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.9 t -71.56 -27.25 63.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.392 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -67.88 -30.38 69.72 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.294 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 23' ' ' LEU . 97.5 t -70.57 -44.65 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.98 0.419 . . . . 10.0 109.995 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -65.83 -40.02 91.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.022 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.47 -38.72 87.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.028 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.0 -24.96 61.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.187 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.8 tp -73.03 -40.12 65.4 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.462 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -70.44 -36.57 74.03 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.716 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -71.48 -25.21 62.18 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.08 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -44.33 69.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.58 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.84 -15.5 60.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.0 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.24 7.46 44.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.501 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 1.1 tppt? -131.91 128.54 21.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.167 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 33.5 Cg_exo -61.73 -58.82 0.35 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.914 2.409 . . . . 10.0 111.94 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.3 p -138.28 125.03 20.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.823 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -137.02 94.47 12.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.48 -35.96 46.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.393 2.062 . . . . 10.0 111.987 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.61 -43.47 47.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.1 -0.5 . . . . 10.0 112.05 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.644 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.8 mm? -71.18 -27.44 63.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.692 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -72.71 -34.96 67.46 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.948 -0.389 . . . . 10.0 109.948 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.38 87.51 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.433 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.09 -42.69 65.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.52 -33.68 76.47 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.191 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -62.92 -49.67 73.85 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.749 0.309 . . . . 10.0 111.31 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -71.63 -39.9 70.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.465 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -67.7 -34.8 77.62 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 tp -72.13 -30.54 65.15 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 71.4 m -74.4 -29.34 61.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.287 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -69.9 -36.19 75.21 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.469 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -67.19 -32.76 74.05 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -70.88 -34.08 71.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.603 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -41.38 95.41 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.651 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 1.2 t80 -68.05 -44.76 75.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.239 -0.891 . . . . 10.0 111.728 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' B' ' 58' ' ' ARG . 2.5 mmp_? -76.02 -17.61 59.6 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.145 0.794 . . . . 10.0 113.145 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.19 -63.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.17 -33.47 72.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.579 0.352 . . . . 10.0 110.8 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.558 ' O ' HG23 ' B' ' 65' ' ' VAL . 40.9 tt0 -62.48 -49.59 74.79 Favored 'General case' 0 C--O 1.226 -0.137 0 O-C-N 123.207 0.317 . . . . 10.0 111.208 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.5 m -64.71 -31.54 72.81 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.791 0.329 . . . . 10.0 110.954 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.509 ' O ' HG23 ' B' ' 67' ' ' VAL . 85.1 m-20 -70.05 -42.83 72.36 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.235 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 25.4 p -70.01 -37.79 75.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 61' ' ' GLN . 69.0 t -60.65 -37.56 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.761 0.315 . . . . 10.0 110.912 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -72.39 -41.62 66.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.562 0.578 . . . . 10.0 112.562 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.705 ' O ' HG13 ' B' ' 71' ' ' ILE . 21.6 t -62.14 -54.2 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . 0.773 ' HA ' HD12 ' B' ' 71' ' ' ILE . 67.8 t80 -58.97 -34.8 72.22 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -37.83 78.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.93 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.78 -18.9 60.4 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.287 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' B' ' 68' ' ' PHE . 82.9 mt -68.59 -55.54 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.101 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -70.34 -20.16 63.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.826 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.66 74.39 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.852 0.358 . . . . 10.0 110.722 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.58 -36.48 78.79 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.614 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.462 ' HA ' ' OD1' ' B' ' 78' ' ' ASN . 43.7 mt -69.59 -35.83 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.415 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -28.12 43.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.553 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -76.17 -36.84 58.53 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.765 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.462 ' OD1' ' HA ' ' B' ' 75' ' ' ILE . 2.7 p-10 -92.1 4.38 53.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.889 0.376 . . . . 10.0 111.175 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 17.9 t80 . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.995 179.303 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 55.0 t90 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.716 0.293 . . . . 10.0 110.507 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 30.9 p -152.51 152.17 31.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.35 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.44 -165.41 30.89 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.988 -0.625 . . . . 10.0 111.951 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . 0.406 ' O ' HG23 ' C' ' 12' ' ' VAL . 67.0 m-85 -67.28 -40.38 86.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.772 0.32 . . . . 10.0 111.526 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.38 -38.26 81.18 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.857 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.03 -32.83 67.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.381 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.95 -37.08 83.62 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.174 -0.467 . . . . 10.0 111.649 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 8' ' ' TYR . 95.2 t -67.98 -41.34 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.773 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m -66.32 -38.87 88.69 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.805 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 -24.57 58.84 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.394 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.21 -43.64 90.91 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.557 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.565 ' O ' HG22 ' C' ' 20' ' ' VAL . 59.1 m-85 -74.68 -32.83 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.133 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.54 -39.75 94.34 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 20.8 m -73.22 -30.38 63.46 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.953 0.406 . . . . 10.0 111.014 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.41 -25.53 67.92 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.598 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.565 HG22 ' O ' ' C' ' 16' ' ' PHE . 25.4 m -114.01 24.33 4.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.736 0.303 . . . . 10.0 111.592 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.12 30.44 0.52 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -145.57 -49.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 10.0 111.277 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.599 ' O ' HG23 ' C' ' 27' ' ' VAL . 0.0 OUTLIER -68.28 -20.04 64.75 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.451 ' N ' HD13 ' C' ' 23' ' ' LEU . 84.4 mt-30 -59.28 -49.28 78.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.85 0.357 . . . . 10.0 110.744 178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -69.49 -26.82 64.74 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -69.13 -25.69 64.51 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.618 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.599 HG23 ' O ' ' C' ' 23' ' ' LEU . 46.6 t -69.47 -48.79 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 109.535 -0.542 . . . . 10.0 109.535 178.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -66.17 -39.83 90.02 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.531 -0.758 . . . . 10.0 111.492 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.46 -42.5 92.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 -24.31 61.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.338 . . . . 10.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . 0.59 HD21 HG22 ' A' ' 12' ' ' VAL . 62.8 tp -71.81 -39.1 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.377 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . 0.855 ' HA ' ' HE3' ' A' ' 15' ' ' LYS . 69.5 m-20 -70.12 -39.71 75.31 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.943 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.03 -23.29 61.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.201 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.84 -55.35 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.752 0.649 . . . . 10.0 112.752 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . 0.484 ' HB1' ' HA ' ' A' ' 16' ' ' PHE . . . -76.54 -15.59 59.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.759 1.022 . . . . 10.0 113.759 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.32 18.76 14.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.301 0.572 . . . . 10.0 110.988 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.488 ' HA ' ' HD3' ' C' ' 37' ' ' LYS . 0.2 OUTLIER -144.75 122.72 6.59 Favored Pre-proline 0 N--CA 1.454 -0.227 0 CA-C-N 115.0 -1.0 . . . . 10.0 109.257 179.05 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -50.12 -69.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.597 2.865 . . . . 10.0 114.021 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 29.9 m -127.82 125.65 40.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.717 0.294 . . . . 10.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.718 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -137.2 93.43 13.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.842 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -63.6 -37.02 49.88 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.569 2.18 . . . . 10.0 112.608 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.0 -40.09 60.84 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.682 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.718 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.0 mm? -72.82 -22.63 60.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.85 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 36.6 tp -73.74 -44.37 56.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.811 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.11 80.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.876 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.56 -38.88 70.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.85 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . 0.408 ' O ' ' HG ' ' C' ' 51' ' ' LEU . 9.3 t80 -69.38 -34.47 74.59 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.032 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -59.67 -45.85 90.8 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.946 0.403 . . . . 10.0 110.848 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 43.9 t -71.9 -37.8 70.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.789 -0.642 . . . . 10.0 111.046 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' C' ' 50' ' ' LYS . 13.1 mmtm -58.44 -56.04 27.24 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.381 1.252 . . . . 10.0 114.381 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' C' ' 47' ' ' TYR . 0.4 OUTLIER -70.56 -29.81 66.36 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . 0.463 ' O ' HD22 ' C' ' 56' ' ' LEU . 78.7 p -69.42 -30.51 68.48 Favored 'General case' 0 C--O 1.228 -0.075 0 C-N-CA 120.716 -0.394 . . . . 10.0 110.321 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.89 -37.08 78.79 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.4 -0.592 . . . . 10.0 109.4 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.56 -33.6 74.37 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.466 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.44 -49.83 69.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.147 -0.933 . . . . 10.0 111.369 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.463 HD22 ' O ' ' C' ' 52' ' ' SER . 0.3 OUTLIER -73.58 -27.79 61.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.246 0.832 . . . . 10.0 113.246 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -65.16 -43.08 92.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.083 0.468 . . . . 10.0 109.748 178.457 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.494 ' HG2' ' CE2' ' C' ' 57' ' ' TYR . 1.5 mmp_? -76.68 -31.66 57.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.544 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.59 -41.33 88.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.854 0.359 . . . . 10.0 110.18 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.01 -34.12 68.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.767 -0.652 . . . . 10.0 110.506 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.652 ' O ' HG23 ' C' ' 65' ' ' VAL . 39.6 tt0 -69.22 -39.65 78.44 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.583 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . 0.467 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 58.6 m -65.34 -36.13 83.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.974 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . 0.401 ' O ' HG23 ' C' ' 67' ' ' VAL . 91.8 m-20 -72.8 -41.32 65.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.607 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 24.3 p -64.95 -37.56 88.05 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.652 HG23 ' O ' ' C' ' 61' ' ' GLN . 62.3 t -66.66 -52.66 43.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . 0.645 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 11.4 tmtt? -58.13 -42.44 85.85 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.479 0.918 . . . . 10.0 113.479 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 63' ' ' ASN . 74.4 t -65.95 -45.62 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -61.4 -32.75 72.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 10.0 111.569 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' C' ' 66' ' ' LYS . 0.8 OUTLIER -70.71 -36.53 73.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.194 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.61 -28.44 66.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.85 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.12 -50.18 55.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.926 0.393 . . . . 10.0 110.033 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -71.08 -21.83 62.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.697 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.9 73.99 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.72 0.295 . . . . 10.0 111.096 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.49 -36.07 68.32 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.634 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.439 ' HA ' ' OD1' ' C' ' 78' ' ' ASN . 45.7 mt -74.14 -33.61 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.296 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mp -69.01 -30.28 46.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.433 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -82.63 -27.31 31.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.772 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . 0.439 ' OD1' ' HA ' ' C' ' 75' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 121.041 0.448 . . . . 10.0 110.616 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.829 0.347 . . . . 10.0 110.864 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.27 58.56 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.294 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -67.28 -39.55 86.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.795 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.433 ' O ' HG22 ' D' ' 20' ' ' VAL . 49.1 m-85 -77.52 -34.21 54.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.002 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.13 -43.73 90.99 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -77.17 -26.57 53.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.922 0.392 . . . . 10.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.12 -38.07 92.0 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.87 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.433 HG22 ' O ' ' D' ' 16' ' ' PHE . 34.4 m -118.81 31.4 2.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.916 0.389 . . . . 10.0 111.301 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.71 -26.76 68.51 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.822 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -85.64 -30.75 23.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.302 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.51 ' O ' HG23 ' D' ' 27' ' ' VAL . 46.9 mt -70.11 -24.97 63.28 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.05 -49.35 76.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.716 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -72.11 -27.09 62.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.181 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -67.84 -33.17 74.25 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.554 -0.294 . . . . 10.0 111.563 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 23' ' ' LEU . 89.9 t -72.07 -40.65 67.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.605 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 18.1 m -65.59 -41.21 93.11 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.903 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.17 -31.74 70.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.391 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.515 ' O ' ' HB2' ' D' ' 34' ' ' LEU . . . -73.3 -24.48 60.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.171 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.37 -43.12 61.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.791 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -70.15 -35.47 74.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.188 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -42.21 69.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.376 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.641 ' HB3' ' HE2' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -68.58 -29.27 67.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.401 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . 0.854 ' HA ' ' HZ3' ' B' ' 15' ' ' LYS . . . -55.54 -43.75 76.08 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.872 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.386 . . -111.55 24.24 13.0 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 115.541 1.682 . . . . 10.0 115.541 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . 0.522 ' HD3' ' HA ' ' D' ' 37' ' ' LYS . 32.3 mmtm -123.78 107.61 31.17 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 107.172 -1.418 . . . . 10.0 107.172 176.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -67.97 -73.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.72 2.28 . . . . 10.0 113.11 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . 0.862 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . 2.3 p -104.02 120.26 40.68 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.81 ' HB2' ' HB2' ' D' ' 43' ' ' LEU . 0.3 OUTLIER -142.13 106.7 5.7 Favored Pre-proline 0 C--O 1.217 -0.61 0 N-CA-C 114.579 1.326 . . . . 10.0 114.579 -178.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 33.0 Cg_endo -66.17 -45.35 5.77 Favored 'Trans proline' 0 C--N 1.333 -0.28 0 C-N-CA 122.849 2.366 . . . . 10.0 112.874 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.8 -43.83 35.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.355 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.81 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 3.7 mm? -68.36 -23.04 64.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.356 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -79.9 -39.13 31.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.53 178.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.17 92.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.014 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.71 -48.75 58.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -63.97 -33.48 75.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.963 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . 0.778 HE21 ' HA ' ' A' ' 79' ' ' PHE . 53.3 tt0 -62.56 -49.58 74.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.3 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 46.8 t -75.15 -38.81 60.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -70.09 -34.79 73.6 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -69.4 -40.51 77.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.147 0.499 . . . . 10.0 110.069 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 62.8 p -73.76 -28.54 61.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.309 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -63.82 -36.39 83.73 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.74 -37.61 87.26 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.109 -0.95 . . . . 10.0 109.704 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -63.14 -45.78 90.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.201 -0.908 . . . . 10.0 112.292 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.2 mm? -69.41 -27.98 65.76 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -40.05 80.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' D' ' 58' ' ' ARG . 1.7 mmp_? -75.81 -35.13 60.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.822 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.64 -46.87 65.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.034 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.03 93.47 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.184 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . 0.584 ' O ' HG23 ' D' ' 65' ' ' VAL . 36.4 tt0 -69.14 -35.38 76.29 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.144 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 58.3 m -71.15 -28.93 64.62 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.798 0.333 . . . . 10.0 111.038 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.99 -37.66 66.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.39 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 34.1 p -68.66 -37.42 79.64 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . 0.584 HG23 ' O ' ' D' ' 61' ' ' GLN . 21.8 t -66.38 -34.47 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.935 0.398 . . . . 10.0 110.009 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? . . . . . 0 CA--C 1.532 0.26 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.898 -179.83 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.644 0.259 . . . . 10.0 111.54 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 p -160.05 145.58 15.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.054 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.0 -177.55 33.19 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.313 -0.946 . . . . 10.0 114.008 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -66.6 -30.52 70.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.912 0.387 . . . . 10.0 111.015 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -73.9 -34.08 64.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.516 179.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.481 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 12.3 m-20 -70.21 -27.95 64.89 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.986 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -74.34 -36.95 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.567 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.11 -45.0 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.313 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 p -65.62 -39.14 91.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.204 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.74 -23.03 59.7 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.965 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -63.49 -44.44 94.34 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.37 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.504 ' O ' HG22 ' A' ' 20' ' ' VAL . 61.2 m-85 -74.0 -30.55 62.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.672 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.81 -50.41 64.75 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 m -66.88 -23.57 66.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.069 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' C' ' 35' ' ' ALA . . . -72.34 -52.6 10.3 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.612 -0.722 . . . . 10.0 112.849 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 16' ' ' PHE . 26.9 m -99.03 31.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.914 0.388 . . . . 10.0 111.577 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.56 -52.16 66.34 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.318 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -88.87 -14.59 36.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.809 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 tm? -70.66 -37.69 73.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.508 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -63.48 -40.69 97.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.969 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -70.63 -26.4 63.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.617 0.246 . . . . 10.0 111.51 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -72.11 -27.1 62.42 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.504 -0.317 . . . . 10.0 110.895 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 23' ' ' LEU . 42.3 t -70.22 -48.28 62.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.149 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.9 p -65.99 -34.91 79.18 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.846 -0.615 . . . . 10.0 112.006 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -68.94 -29.56 67.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.907 0.385 . . . . 10.0 110.651 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.5 -26.93 61.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.914 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 31' ' ' LEU . 1.2 mm? -72.65 -37.03 68.1 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.714 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -70.2 -34.49 72.99 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.682 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 60.6 mttp -70.94 -41.58 70.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.912 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -25.89 66.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.085 -0.507 . . . . 10.0 112.06 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.45 -21.3 62.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.135 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.86 7.89 17.14 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 111.788 0.292 . . . . 10.0 111.788 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 44.3 mmtm -117.06 122.93 30.65 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.686 -0.234 . . . . 10.0 111.524 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 19.6 Cg_exo -67.68 -66.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.962 2.441 . . . . 10.0 111.516 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -127.82 123.25 34.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.936 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.61 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -138.57 96.94 9.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.787 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.81 -37.05 47.45 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.324 2.016 . . . . 10.0 112.315 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.87 -46.09 32.04 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.61 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.5 mm? -69.4 -29.13 66.8 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 11.9 tp -72.93 -35.76 67.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.636 0.255 . . . . 10.0 111.184 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.72 -36.74 76.15 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.769 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.99 -31.35 64.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.761 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -72.76 -39.22 66.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.395 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 45.6 mt-30 -65.74 -37.58 86.76 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.138 0.421 . . . . 10.0 112.138 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.4 p -73.28 -39.11 65.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -75.11 -23.62 57.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.841 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 tp -74.72 -39.79 61.69 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.252 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 p -72.86 -29.65 63.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.798 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' C' ' 38' ' ' PRO . 46.6 mt-10 -66.74 -36.75 83.17 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.122 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -66.67 -35.06 79.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.773 -0.648 . . . . 10.0 110.027 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -66.48 -38.98 88.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.695 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.92 -32.7 72.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.819 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' HD1' ' HB3' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -64.08 -45.66 87.71 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.812 179.251 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.29 -31.55 60.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.413 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -65.21 -54.43 29.67 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.176 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.51 -31.43 72.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.997 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -69.02 -48.73 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.658 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.1 p -71.09 -27.26 63.49 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.7 m120 -70.69 -39.82 73.27 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.144 0.424 . . . . 10.0 112.144 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.0 p -69.68 -38.43 77.03 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.21 -38.45 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.855 0.359 . . . . 10.0 111.632 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -76.0 -33.09 59.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.296 1.221 . . . . 10.0 114.296 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.2 t -77.58 -42.89 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.349 -0.541 . . . . 10.0 111.855 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.8 -35.44 76.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.995 0.426 . . . . 10.0 110.512 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -71.94 -35.61 69.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.984 179.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.58 -36.57 82.95 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.953 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 67' ' ' VAL . 38.9 mt -59.0 -52.48 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-O 121.476 0.655 . . . . 10.0 110.301 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 76' ' ' ILE . 3.1 m-20 -70.12 -19.51 63.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.866 -1.061 . . . . 10.0 113.211 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 76' ' ' ILE . . . -66.54 -39.39 88.56 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.221 0.534 . . . . 10.0 109.648 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.07 -27.7 61.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.599 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.798 HD11 ' NE ' ' C' ' 58' ' ' ARG . 10.1 mm -64.4 -52.71 51.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 115.133 -0.94 . . . . 10.0 111.063 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.676 ' HA ' ' HB2' ' A' ' 79' ' ' PHE . 12.5 pt -64.91 -24.37 35.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.525 -0.761 . . . . 10.0 112.694 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -74.34 -29.17 61.47 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.296 -0.562 . . . . 10.0 110.045 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -101.95 7.42 41.4 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.391 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.676 ' HB2' ' HA ' ' A' ' 76' ' ' ILE . 1.2 t80 -66.18 -82.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.056 -0.975 . . . . 10.0 110.271 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.713 ' HD3' ' ND2' ' B' ' 63' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.093 -0.956 . . . . 10.0 111.674 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.583 -0.207 . . . . 10.0 112.583 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -67.16 -32.24 73.21 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.738 0.273 . . . . 10.0 111.738 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -33.81 71.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.053 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -72.15 -28.08 63.01 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.989 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.27 -39.2 65.58 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.515 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.37 -38.0 80.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.735 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 38.4 m -65.95 -44.35 85.28 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.557 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.05 -22.94 62.06 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.392 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.416 ' HG3' ' HB2' ' D' ' 35' ' ' ALA . 9.3 tptt -62.96 -46.62 86.89 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.733 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.569 ' HB3' ' HD1' ' B' ' 57' ' ' TYR . 66.9 m-85 -75.06 -28.31 60.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.618 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.27 -50.72 64.67 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.6 p -66.61 -22.64 66.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.55 -52.84 9.32 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 115.316 -0.856 . . . . 10.0 112.774 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.512 HG22 ' O ' ' B' ' 16' ' ' PHE . 15.9 m -101.92 31.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.16 0.505 . . . . 10.0 111.957 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.6 -52.07 64.84 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.552 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.404 ' O ' HG22 ' B' ' 25' ' ' THR . 39.6 m-80 -91.07 -13.62 32.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.413 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.489 ' O ' HG23 ' B' ' 27' ' ' VAL . 3.2 tm? -71.11 -36.78 72.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.132 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -64.45 -40.11 95.09 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.692 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.404 HG22 ' O ' ' B' ' 22' ' ' ASN . 9.9 t -70.57 -26.33 63.48 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.617 -0.265 . . . . 10.0 111.404 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -72.45 -27.57 62.4 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.727 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 23' ' ' LEU . 42.9 t -70.52 -45.84 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.308 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.3 p -68.69 -33.93 74.8 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.564 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.08 -29.79 67.97 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.387 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.43 62.88 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.648 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' B' ' 31' ' ' LEU . 1.6 mm? -72.01 -36.93 69.85 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.623 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -70.4 -34.56 72.67 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.431 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -71.23 -37.0 72.03 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.82 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.15 -27.51 65.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.573 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.65 60.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.581 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.67 3.86 18.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.519 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 41.6 mmtm -121.09 125.72 26.88 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.44 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 21.7 Cg_exo -67.5 -57.73 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.843 2.362 . . . . 10.0 111.026 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 64.7 m -136.77 124.17 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.418 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.584 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.9 OUTLIER -137.36 94.83 11.92 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.806 -179.522 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.28 -35.32 51.94 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.199 1.933 . . . . 10.0 112.198 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.49 -45.87 35.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.101 -0.499 . . . . 10.0 112.095 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.0 mm? -71.84 -24.51 61.71 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.0 tp -73.12 -40.24 65.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.525 0.202 . . . . 10.0 110.664 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.39 -32.81 73.14 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.959 0.409 . . . . 10.0 110.418 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.96 65.67 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.407 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -72.19 -34.47 68.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.979 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.51 -39.9 95.66 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.38 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -76.26 -46.65 27.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.104 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.508 ' HD3' ' OE1' ' B' ' 53' ' ' GLU . 30.6 mmtm -62.8 -32.5 73.69 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.019 0.748 . . . . 10.0 113.019 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 tp -72.66 -43.05 63.66 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.116 0.484 . . . . 10.0 110.544 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -68.33 -28.7 67.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.868 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.508 ' OE1' ' HD3' ' B' ' 50' ' ' LYS . 32.8 mt-10 -67.95 -35.57 78.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.016 178.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -61.65 -33.27 73.67 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -68.41 -31.17 70.32 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.183 -0.917 . . . . 10.0 110.656 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -33.82 76.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.046 0.451 . . . . 10.0 110.755 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . 0.569 ' HD1' ' HB3' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -69.9 -49.11 55.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.6 -0.727 . . . . 10.0 112.226 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -32.49 61.83 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 -178.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.427 ' HB3' HD12 ' A' ' 76' ' ' ILE . 51.2 m-20 -67.7 -58.61 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.42 -30.86 70.84 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.521 0.201 . . . . 10.0 110.729 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 57' ' ' TYR . 1.8 tt0 -63.28 -46.86 84.85 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.523 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . 0.504 ' HB3' ' HE2' ' B' ' 66' ' ' LYS . 37.4 m -68.36 -35.31 77.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.934 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.713 ' ND2' ' HD3' ' A' ' 80' ' ' ARG . 5.3 m120 -62.71 -44.68 95.6 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.435 0.531 . . . . 10.0 112.435 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 27.4 p -70.11 -42.28 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.64 -34.57 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.504 ' HE2' ' HB3' ' B' ' 62' ' ' SER . 43.4 mttm -74.1 -37.45 64.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 114.077 1.14 . . . . 10.0 114.077 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.03 -40.25 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -65.75 -34.69 78.76 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' B' ' 69' ' ' LYS . 37.4 mmtm -74.05 -35.03 64.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.261 178.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.29 -43.3 74.11 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.682 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.478 HG21 ' OD1' ' D' ' 55' ' ' ASN . 48.4 pt -67.8 -33.42 61.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.081 0.467 . . . . 10.0 110.479 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' B' ' 75' ' ' ILE . 4.1 t70 -72.72 -28.4 62.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.375 178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.56 72.63 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.355 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.09 73.31 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.627 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' B' ' 72' ' ' ASP . 37.2 mt -64.7 -46.12 93.2 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.596 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 72' ' ' ASP . 22.4 mt -57.46 -37.72 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.293 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -66.84 -37.58 84.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 10.0 111.36 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -96.06 9.67 40.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.362 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' B' ' 75' ' ' ILE . 2.7 t80 . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.955 0.407 . . . . 10.0 111.487 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 2.3 t90 . . . . . 0 N--CA 1.462 0.159 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -159.18 153.06 23.2 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.79 -171.77 31.43 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.201 -0.523 . . . . 10.0 112.412 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -67.3 -33.64 75.7 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.226 0.454 . . . . 10.0 112.226 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.558 ' H ' HD23 ' C' ' 9' ' ' LEU . 1.1 pt? -66.85 -29.0 68.79 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.91 -28.89 63.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.362 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -74.71 -36.73 62.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.338 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -68.26 -44.98 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.391 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 31.0 p -65.06 -39.34 93.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.031 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.0 -23.0 60.58 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.213 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -64.43 -42.77 95.83 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.201 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.533 ' HB3' ' HD1' ' C' ' 57' ' ' TYR . 44.6 m-85 -74.5 -32.23 62.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.472 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -64.93 -40.58 95.27 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -73.74 -27.16 61.04 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.936 0.398 . . . . 10.0 111.02 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.29 -41.52 37.85 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.044 -0.598 . . . . 10.0 112.719 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.525 HG22 ' O ' ' C' ' 16' ' ' PHE . 34.6 m -102.14 27.11 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.639 0.256 . . . . 10.0 111.677 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.67 -51.22 70.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.934 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -92.64 -12.96 30.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.828 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.441 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.2 tm? -70.94 -40.37 72.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.305 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -64.05 -38.16 90.05 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -72.07 -26.78 62.3 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.532 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -73.13 -25.7 60.94 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.773 0.32 . . . . 10.0 110.724 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 23' ' ' LEU . 87.9 t -71.65 -47.78 55.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.341 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.5 p -66.53 -33.75 76.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.577 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.54 -29.52 68.11 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.929 0.395 . . . . 10.0 110.417 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.91 -26.56 60.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.827 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' C' ' 31' ' ' LEU . 0.9 OUTLIER -71.38 -42.18 68.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.552 179.096 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.41 -31.3 68.45 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.641 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' C' ' 37' ' ' LYS . 0.2 OUTLIER -69.83 -46.07 66.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.461 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -26.03 66.27 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.437 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . 0.435 ' O ' ' HA3' ' A' ' 19' ' ' GLY . . . -57.07 -35.83 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.72 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.56 25.33 9.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' C' ' 37' ' ' LYS . 33.6 mmtm -116.44 113.76 40.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.205 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' C' ' 37' ' ' LYS . 10.5 Cg_endo -53.46 -72.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.359 2.706 . . . . 10.0 112.69 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -130.54 124.33 31.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.674 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.742 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.5 OUTLIER -137.91 93.58 11.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.814 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.95 -36.66 48.26 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.234 1.956 . . . . 10.0 112.198 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.41 -41.73 55.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.262 -0.426 . . . . 10.0 112.002 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.742 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.6 mm? -71.47 -28.7 64.12 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 tp -72.98 -36.18 67.02 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.76 0.314 . . . . 10.0 110.863 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.89 72.2 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.403 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.47 64.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.677 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -72.31 -39.8 67.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.08 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.27 -37.36 80.64 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 68.8 p -71.91 -38.79 69.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.453 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -78.54 -22.3 47.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 10.0 111.711 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -75.06 -35.65 61.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 10.0 110.586 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 73.6 p -73.32 -31.32 63.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.941 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.33 -35.98 82.63 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.444 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -65.66 -34.46 78.25 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.862 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -71.14 -38.93 72.24 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.224 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' C' ' 56' ' ' LEU . 0.5 OUTLIER -73.56 -31.34 63.58 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 -179.306 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . 0.533 ' HD1' ' HB3' ' C' ' 16' ' ' PHE . 0.0 OUTLIER -65.84 -42.93 89.9 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.741 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.798 ' NE ' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -75.59 -34.34 60.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.085 -0.961 . . . . 10.0 111.4 -179.304 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . 0.405 ' HA ' ' NH2' ' C' ' 58' ' ' ARG . 7.9 m-20 -64.48 -43.19 94.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.998 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.43 -29.83 67.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.242 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.402 ' O ' HG12 ' C' ' 65' ' ' VAL . 32.4 tt0 -69.2 -46.37 67.59 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.247 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' C' ' 66' ' ' LYS . 59.5 p -71.62 -26.51 62.6 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.867 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . 0.467 ' O ' HG23 ' C' ' 67' ' ' VAL . 2.1 m120 -75.34 -44.96 42.39 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -63.41 -38.91 92.95 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.402 HG12 ' O ' ' C' ' 61' ' ' GLN . 2.1 p -65.37 -45.5 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 121.082 -0.247 . . . . 10.0 111.488 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' C' ' 62' ' ' SER . 32.4 mmtm -66.3 -27.75 68.15 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . 0.467 HG23 ' O ' ' C' ' 63' ' ' ASN . 95.7 t -78.42 -54.21 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -61.39 -34.83 76.0 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.615 ' HE3' ' HA ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -72.2 -34.56 68.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.195 179.339 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.3 -34.03 76.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.653 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . 0.437 HG13 ' O ' ' C' ' 67' ' ' VAL . 83.9 mt -63.4 -44.44 98.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.603 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.38 -21.7 62.83 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.198 -0.456 . . . . 10.0 112.189 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.75 -41.59 83.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.02 0.438 . . . . 10.0 110.533 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.19 -28.83 61.47 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.182 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 64.8 mt -66.69 -47.18 83.93 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.36 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -30.09 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -66.51 -33.18 75.11 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.946 0.403 . . . . 10.0 110.832 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 13.0 m120 . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.915 179.381 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 43.3 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.618 0.247 . . . . 10.0 111.11 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -23.01 61.28 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.349 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -66.72 -38.53 86.88 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-O 120.931 0.396 . . . . 10.0 110.47 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.406 ' O ' HG22 ' D' ' 20' ' ' VAL . 64.5 m-85 -77.35 -34.76 55.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.203 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -65.5 -46.23 80.5 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.842 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -79.77 -24.45 41.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.67 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.93 -45.86 70.71 Favored Glycine 0 C--N 1.329 0.175 0 C-N-CA 120.855 -0.688 . . . . 10.0 112.952 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.693 ' HB ' HD21 ' D' ' 23' ' ' LEU . 33.4 m -113.62 32.16 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.31 0.576 . . . . 10.0 111.621 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.54 -30.73 69.94 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.24 -0.891 . . . . 10.0 113.2 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . 0.42 ' O ' HG22 ' D' ' 25' ' ' THR . 14.0 m-80 -87.68 -36.99 17.11 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.764 1.394 . . . . 10.0 114.764 -178.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.705 HD13 ' H ' ' D' ' 23' ' ' LEU 0.418 0.0 OUTLIER -71.39 -20.2 62.17 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 114.335 1.235 . . . . 10.0 114.335 -179.941 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -61.03 -44.5 97.32 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.42 HG22 ' O ' ' D' ' 22' ' ' ASN . 15.1 t -73.18 -26.57 61.23 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.374 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -69.0 -26.67 65.13 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.727 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.544 HG23 ' O ' ' D' ' 23' ' ' LEU . 96.3 t -73.25 -48.19 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.043 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.058 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.3 p -63.85 -32.93 74.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.213 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -71.94 -29.54 64.39 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.683 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.29 -28.02 61.87 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.737 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' D' ' 31' ' ' LEU . 0.3 OUTLIER -73.15 -36.88 66.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.852 179.338 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.55 -36.09 81.83 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.785 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . 0.594 ' O ' ' HG2' ' D' ' 37' ' ' LYS . 62.3 mttp -71.4 -45.98 61.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.259 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -25.38 68.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.607 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' B' ' 15' ' ' LYS . . . -51.16 -37.28 45.46 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.72 24.77 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . 0.601 ' HB3' ' OD1' ' D' ' 40' ' ' ASP . 42.8 mmtm -116.55 107.86 46.1 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.25 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.49 -75.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.727 2.285 . . . . 10.0 112.38 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . 0.48 ' OG ' HD22 ' A' ' 9' ' ' LEU . 64.3 p -109.45 123.78 49.94 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 178.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.601 ' OD1' ' HB3' ' D' ' 37' ' ' LYS . 0.4 OUTLIER -137.3 102.88 8.82 Favored Pre-proline 0 N--CA 1.442 -0.825 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -177.393 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' D' ' 40' ' ' ASP . 24.0 Cg_endo -65.05 -45.79 7.24 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.292 1.995 . . . . 10.0 112.238 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.22 -53.51 7.26 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.737 1.014 . . . . 10.0 113.737 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.72 -33.8 73.43 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 114.52 1.304 . . . . 10.0 114.52 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.562 ' CD1' ' HB2' ' D' ' 40' ' ' ASP . 5.0 mp -76.54 -32.9 58.5 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.94 91.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.958 0.409 . . . . 10.0 110.936 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.42 -32.52 70.17 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.398 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -72.8 -36.17 67.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.327 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . 0.539 ' HB3' ' HZ1' ' C' ' 66' ' ' LYS . 48.0 mt-30 -60.99 -43.08 99.39 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.201 0.313 . . . . 10.0 111.729 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.8 p -68.4 -40.16 81.42 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -77.74 -19.16 55.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.963 0.411 . . . . 10.0 111.423 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.92 -46.66 51.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.637 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 69.4 p -74.0 -27.48 60.98 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.574 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -62.35 -35.93 80.64 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.03 -36.64 83.81 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.431 -0.804 . . . . 10.0 108.842 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . 0.478 ' OD1' HG21 ' B' ' 71' ' ' ILE . 0.8 OUTLIER -56.44 -53.24 59.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.439 -1.255 . . . . 10.0 111.514 179.139 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.03 -29.04 64.85 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -45.1 92.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.034 0.445 . . . . 10.0 110.583 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -31.11 50.12 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.244 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -63.11 -55.91 21.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.575 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.06 -31.43 72.65 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . 0.401 ' O ' HG23 ' D' ' 65' ' ' VAL . 51.5 tt0 -69.51 -49.93 49.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' D' ' 66' ' ' LYS . 92.5 p -68.59 -32.44 72.35 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.83 -37.19 85.56 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 33.7 p -69.77 -37.6 76.45 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . 0.428 HG23 ' H ' ' D' ' 65' ' ' VAL . 2.1 t -59.42 -44.42 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.921 0.391 . . . . 10.0 111.927 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' D' ' 62' ' ' SER . 33.7 mmtm . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 113.788 1.033 . . . . 10.0 113.788 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.553 ' HZ2' HD23 ' B' ' 23' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.387 0.137 . . . . 10.0 110.74 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.2 p -141.73 153.68 44.78 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 111.783 0.29 . . . . 10.0 111.783 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.99 168.46 41.6 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.522 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -66.66 -37.97 85.87 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' D' ' 39' ' ' SER . 0.6 OUTLIER -74.92 -30.61 61.31 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.774 179.503 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.451 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 13.9 m-20 -69.43 -34.99 75.25 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.291 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -71.51 -36.18 70.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.26 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -73.49 -28.08 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.877 0.37 . . . . 10.0 111.753 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -73.27 -43.27 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 10.0 110.836 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.42 -25.64 62.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.906 -0.588 . . . . 10.0 112.145 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.643 ' HG2' ' O ' ' A' ' 12' ' ' VAL . 18.2 ptmt -70.14 -38.39 75.51 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.57 0.224 . . . . 10.0 111.259 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' O ' HG22 ' A' ' 20' ' ' VAL . 13.4 m-85 -70.34 -34.57 72.81 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.115 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -66.23 -50.94 62.08 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -68.17 -23.63 64.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 10.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.27 -36.0 70.33 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.538 -0.756 . . . . 10.0 113.315 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 16' ' ' PHE . 29.3 m -115.76 31.85 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.948 0.404 . . . . 10.0 111.271 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.77 -7.11 46.21 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.458 ' O ' HG22 ' A' ' 25' ' ' THR . 17.0 t-20 -116.33 -23.74 8.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 10.0 109.924 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -65.77 -30.69 71.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.937 -1.029 . . . . 10.0 110.992 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.84 -44.99 94.66 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 22' ' ' ASN . 12.3 t -68.74 -26.31 65.18 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.785 0.326 . . . . 10.0 111.278 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -69.75 -27.53 65.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.173 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 23' ' ' LEU . 21.9 t -72.76 -45.03 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.61 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.5 p -68.26 -26.68 65.8 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.476 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.45 ' O ' ' HD3' ' A' ' 33' ' ' LYS . 26.2 tt0 -66.45 -49.44 66.67 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.236 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.25 -24.19 63.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.756 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -70.83 -36.3 72.84 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.95 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -67.64 -38.29 83.62 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.767 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HD3' ' O ' ' A' ' 29' ' ' GLU . 5.5 mppt? -71.38 -26.41 62.77 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.488 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -77.87 -26.03 49.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.847 -179.55 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -23.16 63.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.27 6.38 24.53 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 44.4 mmtm -116.56 126.73 27.3 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.602 0.239 . . . . 10.0 111.619 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 9.7 Cg_exo -72.56 -68.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.993 2.462 . . . . 10.0 111.2 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -121.8 123.91 42.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.609 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.673 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -137.67 98.81 9.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.488 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 26.4 Cg_endo -63.76 -41.35 24.7 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.468 2.112 . . . . 10.0 112.631 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.27 -43.06 43.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.673 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.1 mm? -70.34 -27.33 64.27 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.77 -31.85 67.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.553 0.216 . . . . 10.0 111.535 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.78 75.64 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.833 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.41 65.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.428 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -72.27 -35.16 68.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.828 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -67.67 -43.25 80.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.859 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 m -69.18 -39.08 78.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.258 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -73.38 -27.41 61.46 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.382 0.512 . . . . 10.0 112.382 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -72.64 -39.45 67.19 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.3 m -71.01 -29.74 65.77 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.001 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.44 -37.3 87.04 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.252 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -67.92 -35.65 78.82 Favored 'General case' 0 C--N 1.337 0.038 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.629 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -74.97 -19.83 59.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.07 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -73.36 -45.39 55.3 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.585 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -33.44 66.86 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.894 0.378 . . . . 10.0 111.234 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -41.37 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.199 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 59' ' ' ASN . 1.4 t-20 -77.38 -32.59 55.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.257 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.79 83.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.725 0.297 . . . . 10.0 110.996 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.44 ' O ' HG22 ' A' ' 65' ' ' VAL . 32.1 tt0 -71.2 -41.27 70.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.328 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.444 ' HB2' ' HB1' ' B' ' 45' ' ' ALA . 51.5 p -71.87 -25.6 62.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.584 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 67' ' ' VAL . 68.1 m-20 -76.16 -36.86 58.55 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 111.921 0.341 . . . . 10.0 111.921 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -42.6 88.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.741 0.305 . . . . 10.0 111.209 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.591 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 15.8 m -80.01 -15.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.983 0.735 . . . . 10.0 112.983 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 62' ' ' SER . 3.6 ttpp -85.28 -47.53 9.96 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 120.655 -0.418 . . . . 10.0 111.673 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 63' ' ' ASN . 6.5 t -69.22 -35.47 68.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 10.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CZ ' ' HD3' ' D' ' 41' ' ' PRO . 10.5 t80 -70.48 -39.53 74.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.966 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -65.84 -33.42 75.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.165 179.135 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.12 -47.29 74.62 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.799 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.807 HD11 ' HB3' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -70.05 -34.55 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.062 0.458 . . . . 10.0 111.071 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.22 -46.82 72.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.97 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.93 -33.89 67.43 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.62 -48.6 76.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.004 0.43 . . . . 10.0 110.374 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.83 -50.59 74.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.818 0.818 . . . . 10.0 110.186 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.594 HD11 HD13 ' D' ' 44' ' ' LEU . 0.8 OUTLIER -56.41 -44.93 81.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.836 -1.074 . . . . 10.0 113.518 -179.035 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -76.7 -11.24 59.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.12 0.486 . . . . 10.0 111.688 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.537 ' C ' ' H ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -77.57 -19.11 56.18 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.584 178.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.68 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 41.9 m-85 -66.95 28.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.254 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.537 ' H ' ' C ' ' A' ' 78' ' ' ASN . 43.9 ttp180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.5 -0.762 . . . . 10.0 111.515 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.232 -0.347 . . . . 10.0 112.232 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -66.68 -38.78 87.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.311 . . . . 10.0 111.263 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -30.13 63.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.827 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.79 -35.12 69.91 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.005 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -68.98 -36.09 77.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.776 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.33 -36.14 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.989 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -66.48 -48.28 70.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.011 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.81 -23.37 61.54 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.306 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -42.19 95.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.704 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.595 ' O ' HG22 ' B' ' 20' ' ' VAL . 16.0 m-85 -75.68 -34.97 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.615 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.27 -52.58 53.45 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.539 1.311 . . . . 10.0 114.539 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 11.5 m -64.43 -24.88 67.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.194 0.521 . . . . 10.0 110.866 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.47 -39.92 29.19 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 114.885 0.714 . . . . 10.0 114.885 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.595 HG22 ' O ' ' B' ' 16' ' ' PHE . 34.0 m -108.44 31.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.441 0.639 . . . . 10.0 111.8 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.18 18.66 0.83 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.951 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.439 ' O ' HG22 ' B' ' 25' ' ' THR . 13.9 t-20 -129.5 -33.83 1.85 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.536 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.651 ' O ' HG23 ' B' ' 27' ' ' VAL . 2.4 pp -68.29 -21.37 64.79 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.418 ' N ' HD12 ' B' ' 23' ' ' LEU . 56.6 tt0 -61.79 -45.17 95.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.67 0.271 . . . . 10.0 110.998 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.439 HG22 ' O ' ' B' ' 22' ' ' ASN . 14.6 t -71.92 -26.06 62.15 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.862 0.363 . . . . 10.0 110.349 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -71.38 -26.92 62.99 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.074 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 23' ' ' LEU . 60.2 t -72.74 -45.46 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 40.2 p -68.94 -26.75 65.23 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.175 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.468 ' O ' ' HD3' ' B' ' 33' ' ' LYS . 25.9 tt0 -66.77 -48.78 68.0 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.934 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.91 -24.26 63.35 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.763 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.47 -36.06 71.06 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.015 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -66.97 -40.07 87.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.506 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' B' ' 29' ' ' GLU . 6.3 mppt? -71.6 -21.88 61.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.135 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -74.65 -34.08 62.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.048 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.15 -12.07 60.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.822 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.55 8.1 29.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 44.7 mmtm -126.66 127.49 24.48 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.592 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 14.8 Cg_exo -70.85 -60.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.835 2.357 . . . . 10.0 110.479 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 63.3 m -128.69 124.26 35.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.6 OUTLIER -137.1 95.91 11.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 32.3 Cg_endo -64.47 -32.42 59.8 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.389 2.059 . . . . 10.0 111.175 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.19 -51.27 12.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.336 -0.847 . . . . 10.0 112.256 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.0 mm? -69.55 -22.97 63.51 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 tp -72.24 -32.7 66.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 10.0 110.797 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' A' ' 62' ' ' SER . . . -73.31 -37.53 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.727 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.24 -33.3 65.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.558 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -72.62 -34.17 67.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.86 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -68.3 -43.57 77.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.542 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -69.18 -38.5 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.115 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -74.19 -30.6 62.3 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.228 -0.442 . . . . 10.0 112.024 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -69.16 -38.24 78.65 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.516 ' O ' HD13 ' B' ' 56' ' ' LEU . 49.9 m -73.08 -29.2 62.77 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.411 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.498 ' HA ' HD22 ' B' ' 56' ' ' LEU . 21.9 mt-10 -63.28 -36.84 85.0 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 177.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -66.45 -36.4 82.7 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.643 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -74.14 -20.99 60.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.828 -0.623 . . . . 10.0 110.959 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.516 HD13 ' O ' ' B' ' 52' ' ' SER . 1.0 OUTLIER -67.34 -46.87 72.16 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.8 0.334 . . . . 10.0 110.39 179.788 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -41.76 61.09 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -50.6 35.92 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.897 1.073 . . . . 10.0 113.897 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -74.05 -23.93 59.46 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.917 1.08 . . . . 10.0 113.917 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.41 -38.11 63.18 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -69.31 -34.38 74.58 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 40.2 t -71.4 -36.93 71.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.268 -0.878 . . . . 10.0 110.465 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.68 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 21.4 m-20 -75.55 -35.51 60.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 10.0 112.33 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -69.91 -41.27 74.89 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.72 -19.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.359 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -77.18 -48.18 18.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.429 HG22 ' OXT' ' A' ' 80' ' ' ARG . 7.8 t -67.65 -37.92 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -65.29 -39.67 92.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.121 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' B' ' 69' ' ' LYS . 28.2 mmtp -69.31 -34.62 74.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.575 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.72 -47.93 70.81 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.817 0.303 . . . . 10.0 111.817 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.01 -35.9 66.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 121.201 0.524 . . . . 10.0 111.395 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -72.49 -32.32 66.1 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.979 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.45 -33.06 75.06 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.643 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.35 93.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.086 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.553 HG12 ' HB2' ' D' ' 62' ' ' SER . 43.4 mt -68.58 -51.12 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.373 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.47 -43.21 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.097 -0.502 . . . . 10.0 112.175 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -71.84 -18.51 62.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.956 0.408 . . . . 10.0 110.786 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.87 -27.61 62.01 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.387 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 . . . . . 0 CA--C 1.533 0.308 0 CA-C-N 116.343 -0.389 . . . . 10.0 112.006 179.19 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.064 0 CA-C-O 120.764 0.316 . . . . 10.0 111.048 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -140.41 128.69 22.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 10.0 111.579 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.26 164.56 31.51 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.957 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -65.94 -35.29 80.19 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.849 0.357 . . . . 10.0 111.405 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.03 -29.49 60.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.101 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.69 -34.93 67.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.449 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -71.62 -36.95 70.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.98 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.856 HG11 HG21 ' C' ' 64' ' ' THR . 8.2 p -74.65 -27.5 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 111.933 0.346 . . . . 10.0 111.933 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 63.6 m -69.8 -47.8 61.48 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.763 0.316 . . . . 10.0 110.693 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.56 -23.35 63.55 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.591 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -64.99 -41.16 95.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.666 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.436 ' O ' HG22 ' C' ' 20' ' ' VAL . 29.1 m-85 -77.33 -31.42 54.51 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.402 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -65.39 -42.64 92.43 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 8.4 m -76.29 -24.5 54.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.835 0.35 . . . . 10.0 111.188 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -36.08 75.65 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.956 -0.64 . . . . 10.0 112.772 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' C' ' 23' ' ' LEU . 30.6 m -111.06 30.91 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.73 0.3 . . . . 10.0 111.653 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.24 -18.73 63.91 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.883 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -108.96 -19.45 13.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.511 0.672 . . . . 10.0 109.846 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.529 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 2.9 tm? -65.87 -34.31 77.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.226 -0.897 . . . . 10.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.07 -45.73 93.55 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -68.42 -26.26 65.44 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.737 0.303 . . . . 10.0 111.633 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -71.16 -26.86 63.17 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.568 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.479 HG23 ' O ' ' C' ' 23' ' ' LEU . 16.7 t -73.2 -45.15 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.82 0.343 . . . . 10.0 110.392 179.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 34.4 p -68.17 -25.21 65.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.497 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.23 -49.31 61.57 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.019 0.437 . . . . 10.0 110.413 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.06 -25.09 65.18 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.282 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.65 -40.55 76.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.258 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.84 -32.09 73.48 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.424 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -71.58 -31.92 67.49 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.731 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.95 -24.6 43.83 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.542 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.04 -39.89 13.73 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.056 0.761 . . . . 10.0 113.056 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.93 24.55 5.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 114.193 1.183 . . . . 10.0 114.193 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.461 ' HB3' ' OD2' ' C' ' 40' ' ' ASP . 0.0 OUTLIER -104.96 122.12 44.3 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.149 178.461 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.63 -73.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.028 2.486 . . . . 10.0 112.55 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -136.81 125.04 23.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.003 0.43 . . . . 10.0 110.751 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.2 OUTLIER -135.13 98.38 12.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.031 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.9 -35.82 75.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.769 2.313 . . . . 10.0 112.679 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.28 47.28 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.7 mm? -72.46 -22.98 60.99 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 112.589 0.589 . . . . 10.0 112.589 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.76 -31.64 66.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.548 0.213 . . . . 10.0 111.416 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.8 75.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.813 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.81 63.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.335 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' C' ' 51' ' ' LEU . 45.5 t80 -71.65 -38.87 70.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.565 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -68.64 -40.41 80.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.843 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -69.04 -44.3 72.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.347 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -70.17 -30.1 67.16 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' C' ' 47' ' ' TYR . 0.5 OUTLIER -65.31 -51.78 58.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.448 179.625 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -67.36 -28.98 68.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.632 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.45 -36.47 73.72 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -69.17 -36.97 77.93 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.219 -0.9 . . . . 10.0 109.48 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -71.68 -26.34 62.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.669 -0.696 . . . . 10.0 112.385 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.479 ' HA ' HD13 ' C' ' 56' ' ' LEU . 0.9 OUTLIER -74.06 -41.22 62.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -35.93 68.73 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.986 0.422 . . . . 10.0 110.92 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.807 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -73.07 -40.61 64.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.81 -179.469 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -75.99 -24.54 55.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.957 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.89 68.61 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.772 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -70.86 -43.2 68.93 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' C' ' 66' ' ' LYS . 27.8 p -70.53 -23.09 62.57 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' C' ' 66' ' ' LYS . 31.9 m-20 -76.55 -38.75 54.53 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . 0.856 HG21 HG11 ' C' ' 12' ' ' VAL . 4.6 m -64.4 -46.69 82.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.998 0.427 . . . . 10.0 110.039 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.613 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 22.4 m -74.69 -13.66 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.699 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' C' ' 62' ' ' SER . 0.0 OUTLIER -78.27 -49.52 13.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.899 0.381 . . . . 10.0 110.682 179.629 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.91 -42.88 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.255 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.04 -45.25 93.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.851 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' C' ' 65' ' ' VAL . 0.0 OUTLIER -68.27 -34.05 75.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.884 0.698 . . . . 10.0 112.884 -179.522 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -48.62 77.82 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.766 0.284 . . . . 10.0 111.766 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 32.5 pt -74.68 -29.75 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.659 0.266 . . . . 10.0 111.476 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 26.7 t70 -72.53 -35.05 67.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.634 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.59 -27.36 63.08 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.808 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -43.86 74.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.206 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 59.7 mt -74.73 -43.06 47.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.58 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . 0.641 HG13 ' ND2' ' D' ' 63' ' ' ASN . 1.7 tp -62.22 -33.37 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.784 -0.644 . . . . 10.0 112.195 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.9 -18.28 35.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.92 0.39 . . . . 10.0 110.35 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.213 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.862 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.592 0.234 . . . . 10.0 111.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.41 -24.29 64.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.53 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -68.72 -36.71 78.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.805 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.522 ' O ' HG22 ' D' ' 20' ' ' VAL . 23.1 m-85 -76.4 -36.33 58.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.284 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.23 -44.33 88.57 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.196 -0.456 . . . . 10.0 112.221 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 14.4 m -76.6 -25.99 54.51 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.83 0.348 . . . . 10.0 111.008 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.73 82.27 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.083 -0.579 . . . . 10.0 113.033 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.522 HG22 ' O ' ' D' ' 16' ' ' PHE . 35.8 m -111.68 31.73 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.952 0.406 . . . . 10.0 111.269 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.34 -21.89 66.75 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.713 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -101.35 -13.94 17.81 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.98 0.419 . . . . 10.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.429 ' O ' HG23 ' D' ' 27' ' ' VAL . 1.6 tm? -69.28 -35.32 75.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.15 -43.12 99.37 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 14.5 t -71.58 -26.49 62.63 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -72.36 -30.54 64.81 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.625 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.429 HG23 ' O ' ' D' ' 23' ' ' LEU . 64.7 t -73.41 -41.71 56.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.068 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 46.5 p -69.17 -25.65 64.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.219 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.435 ' O ' ' HD3' ' D' ' 33' ' ' LYS . 25.1 tt0 -69.32 -47.2 65.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.885 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.23 -23.74 63.92 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.314 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -68.18 -39.09 82.6 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.773 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -70.62 -39.07 73.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.138 -0.483 . . . . 10.0 112.221 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' D' ' 29' ' ' GLU . 9.4 mtpt -71.58 -36.17 70.78 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -24.4 52.67 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.56 -49.01 48.07 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.269 . . -103.89 25.38 9.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.488 1.292 . . . . 10.0 114.488 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -121.82 107.52 35.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 107.879 -1.156 . . . . 10.0 107.879 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.51 -74.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.693 2.262 . . . . 10.0 113.458 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 12.5 m -100.13 130.81 46.31 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 29.1 m-20 -132.0 105.08 13.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 113.75 1.018 . . . . 10.0 113.75 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 41.0 Cg_endo -70.04 -51.75 0.34 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 120.931 1.088 . . . . 10.0 111.644 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.28 6.8 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 113.505 0.928 . . . . 10.0 113.505 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.465 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.3 mm? -59.06 -27.28 65.37 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.594 HD13 HD11 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -82.74 -31.06 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.601 0.593 . . . . 10.0 112.601 -179.62 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.34 -35.81 80.14 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.763 0.316 . . . . 10.0 110.874 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.35 -43.41 60.75 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.947 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.77 -32.65 74.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.386 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . 0.417 ' OE1' HG21 ' C' ' 65' ' ' VAL . 17.5 tm0? -65.0 -52.65 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.519 -0.764 . . . . 10.0 112.782 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 46.8 m -64.96 -38.1 89.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -72.29 -26.54 62.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 114.352 1.242 . . . . 10.0 114.352 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -39.74 66.23 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.075 -0.65 . . . . 10.0 109.365 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -69.18 -28.66 66.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.72 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.43 -37.48 87.46 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -69.9 -32.01 70.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.997 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -75.75 -23.4 56.0 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.094 -0.957 . . . . 10.0 112.038 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' D' ' 56' ' ' LEU . 0.7 OUTLIER -74.02 -41.32 62.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -30.66 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 10.0 111.204 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -40.92 47.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.267 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . 0.424 HD22 ' HA ' ' D' ' 59' ' ' ASN . 1.3 t-20 -78.71 -40.92 32.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.605 0.594 . . . . 10.0 112.605 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.15 90.0 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.726 0.269 . . . . 10.0 111.726 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.73 -37.74 82.61 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . 0.553 ' HB2' HG12 ' B' ' 75' ' ' ILE . 38.8 t -70.3 -28.14 64.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.353 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . 0.641 ' ND2' HG13 ' C' ' 76' ' ' ILE . 84.5 m-20 -76.65 -37.69 55.84 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 20.0 p -63.72 -39.99 95.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.899 0.381 . . . . 10.0 110.661 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 15.2 t -77.61 -25.17 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.419 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 tptp . . . . . 0 N--CA 1.465 0.309 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.614 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 60.8 t90 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.774 0.321 . . . . 10.0 110.297 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -158.69 115.53 2.77 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.9 165.43 30.62 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 115.485 0.954 . . . . 10.0 115.485 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -39.32 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.269 -0.965 . . . . 10.0 109.583 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' B' ' 49' ' ' SER . 0.0 OUTLIER -75.57 -29.16 59.24 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.341 -0.845 . . . . 10.0 111.526 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.91 -39.14 90.3 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.607 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -74.63 -35.94 62.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.371 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.38 -41.94 89.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.618 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.8 m -67.18 -42.2 84.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.24 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -23.02 62.12 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.259 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -67.2 -43.67 81.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.878 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -73.7 -27.5 61.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.288 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -63.61 -48.44 77.33 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -71.52 -23.58 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 10.0 110.171 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.53 -40.66 90.88 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.579 -0.737 . . . . 10.0 113.295 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 m -114.91 31.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.388 . . . . 10.0 111.504 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.04 -45.46 85.33 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 25' ' ' THR . 8.5 t-20 -91.43 -14.61 30.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.402 0.62 . . . . 10.0 110.129 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.9 tm? -66.73 -38.78 87.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.354 -0.839 . . . . 10.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -63.75 -36.73 84.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 22' ' ' ASN . 12.2 t -72.99 -26.4 61.33 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.798 0.332 . . . . 10.0 111.021 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -74.35 -24.26 59.14 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.613 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 23' ' ' LEU . 58.2 t -71.24 -46.52 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.045 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.5 p -70.32 -29.04 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.419 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -70.35 -41.06 73.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.015 0.436 . . . . 10.0 110.218 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.89 -24.25 52.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.298 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -67.91 -43.65 78.74 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.611 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.81 -31.14 67.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.247 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -66.95 -38.78 86.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.266 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.89 -39.13 69.79 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.195 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.13 -19.98 59.63 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.75 -8.82 42.69 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.1 mmtm -118.67 136.45 24.16 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.752 -0.204 . . . . 10.0 110.948 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 46.8 Cg_exo -57.72 -69.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.014 2.476 . . . . 10.0 111.866 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 p -133.51 123.51 25.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.329 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -138.04 94.54 11.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.757 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 23.6 Cg_endo -63.34 -32.88 71.99 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.482 2.121 . . . . 10.0 112.58 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.39 -45.64 37.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.246 -0.434 . . . . 10.0 112.119 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.49 -22.12 61.1 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.794 0.294 . . . . 10.0 111.794 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.79 -33.5 66.3 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.543 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.03 88.84 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.34 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.15 64.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.659 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -72.38 -41.33 66.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.478 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -66.75 -33.94 76.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.37 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.9 m -76.08 -41.18 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.489 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 67.9 mmtt -74.75 -27.52 60.38 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.16 -35.14 61.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.978 0.418 . . . . 10.0 110.316 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.3 p -74.57 -29.14 61.23 Favored 'General case' 0 C--O 1.23 0.048 0 CA-C-N 115.866 -0.607 . . . . 10.0 110.406 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.62 -36.85 83.58 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.088 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -68.71 -35.48 77.22 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.729 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -65.6 -43.61 89.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.038 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.32 -28.65 65.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.585 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.53 -58.3 6.76 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.843 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -70.03 -20.39 63.26 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -74.29 -35.44 63.71 Favored 'General case' 0 C--N 1.334 -0.09 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.6 63.91 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.345 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 65' ' ' VAL . 14.7 mm-40 -69.05 -42.76 75.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.625 -0.716 . . . . 10.0 111.705 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.0 p -71.37 -28.24 63.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.048 0.388 . . . . 10.0 112.048 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.8 -37.73 62.28 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 p -69.91 -47.54 62.09 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.924 0.713 . . . . 10.0 112.924 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 1.4 m -72.86 -20.6 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -77.91 -48.47 16.26 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 111.824 0.305 . . . . 10.0 111.824 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.5 t -73.98 -42.61 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -58.98 -40.6 85.31 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 111.633 0.234 . . . . 10.0 111.633 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -72.7 -34.68 67.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.29 179.361 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.53 -41.04 98.6 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.595 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.64 HG13 ' O ' ' A' ' 67' ' ' VAL . 1.4 mt -64.59 -47.29 89.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 178.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.675 ' HA ' HD11 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -60.15 -26.98 66.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 113.898 -1.501 . . . . 10.0 113.578 -178.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.34 -36.44 61.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.946 0.403 . . . . 10.0 110.238 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -45.01 69.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.696 -0.684 . . . . 10.0 112.09 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.675 HD11 ' HA ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -60.05 -43.95 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 -178.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.6 HG12 ' O ' ' A' ' 72' ' ' ASP . 12.4 pt -74.02 -24.32 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -69.41 -23.83 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -74.58 -35.92 63.02 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 115.366 -0.833 . . . . 10.0 109.578 177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.792 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 3.5 m-85 -71.73 129.78 39.52 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 107.649 -1.241 . . . . 10.0 107.649 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.629 ' O ' ' HA ' ' B' ' 63' ' ' ASN . 7.8 tpt180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.01 -0.995 . . . . 10.0 112.176 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 120.794 0.108 . . . . 10.0 113.05 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.444 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.8 OUTLIER -66.77 -45.55 78.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.693 0.282 . . . . 10.0 111.273 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -21.79 59.22 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.651 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.88 -40.12 94.62 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.666 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.82 -36.4 62.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.646 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 8' ' ' TYR . 99.2 t -62.74 -46.53 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.176 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -66.14 -37.95 86.93 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.397 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.92 -22.93 62.18 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.576 ' HD3' ' HA ' ' D' ' 32' ' ' ASP . 0.3 OUTLIER -69.44 -43.53 73.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.415 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -71.96 -27.76 62.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.075 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.26 -52.91 62.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.452 -0.795 . . . . 10.0 112.288 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -71.86 -22.1 61.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.45 -51.01 60.66 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 114.807 -1.088 . . . . 10.0 114.645 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.693 HG12 HD21 ' B' ' 23' ' ' LEU . 30.9 m -112.35 26.09 3.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.938 0.399 . . . . 10.0 110.918 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.24 -28.96 70.09 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.899 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.495 ' O ' HG22 ' B' ' 25' ' ' THR . 8.8 t-20 -100.51 -31.97 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.693 HD21 HG12 ' B' ' 20' ' ' VAL 0.282 2.8 pp -70.61 -21.7 62.62 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -62.4 -41.32 98.57 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.676 0.274 . . . . 10.0 110.842 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.495 HG22 ' O ' ' B' ' 22' ' ' ASN . 9.4 t -73.67 -26.08 60.56 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.982 0.42 . . . . 10.0 110.015 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -72.44 -24.47 61.22 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.442 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 23' ' ' LEU . 98.2 t -72.58 -45.69 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.3 p -69.37 -27.15 65.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.734 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -74.51 -39.01 62.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.075 -0.511 . . . . 10.0 109.807 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.95 -24.26 52.37 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.122 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -68.63 -44.15 74.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.021 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.7 -30.93 67.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.676 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -65.6 -39.68 91.84 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.637 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.58 -39.12 74.05 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.01 -16.03 60.03 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.629 0.603 . . . . 10.0 112.629 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.34 -20.07 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.181 0.437 . . . . 10.0 112.181 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -110.24 143.83 28.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.933 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.09 -69.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.725 2.283 . . . . 10.0 111.106 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.1 p -135.16 124.47 24.68 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' HB2' ' B' ' 43' ' ' LEU . 0.8 OUTLIER -136.84 95.98 11.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 111.973 0.361 . . . . 10.0 111.973 -178.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 28.6 Cg_endo -63.74 -30.98 69.42 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.687 2.258 . . . . 10.0 112.188 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.11 -49.31 29.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.964 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.436 ' HB2' ' OD2' ' B' ' 40' ' ' ASP . 3.5 mm? -72.98 -21.81 60.79 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.068 0.396 . . . . 10.0 112.068 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.45 -35.3 65.72 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.709 0.29 . . . . 10.0 110.25 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.86 -36.42 82.27 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.0 -34.07 64.04 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.417 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -72.09 -38.22 69.41 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.05 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -66.48 -37.1 84.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.17 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.475 ' HB3' HD21 ' A' ' 9' ' ' LEU . 49.7 m -74.03 -38.5 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.359 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' B' ' 50' ' ' LYS . 68.6 mmtt -75.92 -33.87 59.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.932 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 tp -68.63 -36.51 78.71 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 95.0 p -73.71 -28.19 61.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.407 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.51 -35.23 78.72 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.854 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -66.53 -33.7 76.26 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.469 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 49.5 t30 -70.02 -28.5 65.54 Favored 'General case' 0 C--O 1.228 -0.076 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.306 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.521 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -72.2 -31.49 65.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.143 -0.935 . . . . 10.0 110.591 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -70.91 -56.11 6.95 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.591 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -67.59 -25.27 65.69 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 113.166 0.802 . . . . 10.0 113.166 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 1.4 m-80 -75.54 -50.94 14.12 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.797 0.295 . . . . 10.0 111.797 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.88 73.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.644 0.259 . . . . 10.0 110.547 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -65.84 -42.46 90.49 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.581 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 15.9 t -70.92 -33.21 70.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.657 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.792 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 82.3 m-20 -73.45 -41.23 63.47 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 39.6 p -68.85 -48.66 62.92 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.81 -31.49 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -67.11 -48.27 68.65 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.54 0.57 . . . . 10.0 112.54 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.542 ' O ' HG12 ' B' ' 71' ' ' ILE . 20.4 t -66.85 -44.39 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -59.74 -44.21 93.88 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -71.41 -36.14 71.25 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.3 -44.07 84.51 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.929 0.395 . . . . 10.0 110.97 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.542 HG12 ' O ' ' B' ' 67' ' ' VAL . 8.6 mm -66.06 -43.83 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . 0.453 ' O ' HG13 ' B' ' 76' ' ' ILE . 1.3 t70 -64.74 -31.65 72.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.754 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.78 -30.89 68.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.222 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.74 -40.67 76.04 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 42.8 pt -69.69 -31.45 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 72' ' ' ASP . 66.3 mt -71.2 -33.67 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 10.0 110.027 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -70.59 -25.64 63.16 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.405 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -73.76 -30.55 62.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.172 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.052 178.855 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 47.7 t90 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.012 0.434 . . . . 10.0 110.628 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 22.7 p -159.7 117.0 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.355 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.79 169.85 20.49 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.647 -0.787 . . . . 10.0 113.083 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -34.41 77.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.096 0.474 . . . . 10.0 110.48 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.62 HD11 HG12 ' C' ' 65' ' ' VAL . 21.5 tp -71.97 -33.62 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.759 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.89 -39.14 93.07 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.39 -40.09 67.51 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.415 0.524 . . . . 10.0 112.415 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.974 HG11 HG21 ' C' ' 64' ' ' THR . 65.2 t -67.29 -43.14 88.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -63.32 -44.5 94.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.578 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.66 -22.95 62.43 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.392 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -64.88 -42.65 94.62 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.889 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.509 ' HB3' ' HE1' ' C' ' 57' ' ' TYR . 57.9 m-85 -77.59 -28.45 51.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.796 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -64.91 -39.79 94.07 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -76.86 -25.5 53.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.931 0.396 . . . . 10.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.44 -36.39 62.93 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 121.02 -0.61 . . . . 10.0 112.653 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.438 HG22 ' O ' ' C' ' 16' ' ' PHE . 34.2 m -109.37 25.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.66 0.267 . . . . 10.0 111.593 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.36 -45.67 93.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.252 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . 0.463 ' O ' HG22 ' C' ' 25' ' ' THR . 6.4 t-20 -95.04 -10.66 30.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.203 0.525 . . . . 10.0 110.55 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.415 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.1 tm? -69.26 -38.52 78.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.547 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -65.17 -35.44 81.09 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.463 HG22 ' O ' ' C' ' 22' ' ' ASN . 6.7 t -73.15 -26.7 61.3 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.044 -0.262 . . . . 10.0 111.001 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -76.38 -24.3 54.11 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.273 -0.422 . . . . 10.0 109.87 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 23' ' ' LEU . 40.4 t -68.82 -45.33 81.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.345 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -73.97 -28.02 61.28 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.214 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.22 -42.63 75.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.196 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.07 51.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.478 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 26.3 tp -66.65 -46.71 74.88 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.803 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.11 -30.66 66.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.175 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -59.73 -48.1 83.02 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.677 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -75.76 -34.81 60.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.503 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.4 -33.98 75.83 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.011 0.745 . . . . 10.0 113.011 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.35 20.97 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -127.4 129.88 23.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.366 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -46.73 -72.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.728 2.952 . . . . 10.0 113.077 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 18.0 p -149.5 125.06 10.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.679 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.436 ' OD1' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -137.45 100.98 9.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.516 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 24.1 Cg_endo -63.69 -30.85 69.82 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.287 1.991 . . . . 10.0 112.27 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.31 -46.61 32.35 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.143 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.436 ' HB2' ' OD1' ' C' ' 40' ' ' ASP . 3.4 mm? -72.67 -22.34 60.93 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 46.9 tp -71.5 -33.45 69.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.86 0.362 . . . . 10.0 110.585 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.68 78.55 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.363 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.25 64.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.999 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -72.11 -40.46 68.12 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.24 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -67.64 -36.5 80.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.252 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -73.34 -39.09 65.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.505 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 63.0 mmtt -74.23 -29.01 61.51 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tp -74.46 -34.5 63.16 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.67 0.272 . . . . 10.0 111.21 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -74.99 -29.53 60.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.508 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.37 -36.52 83.99 Favored 'General case' 0 C--O 1.231 0.085 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -70.07 -34.13 72.81 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.353 -0.84 . . . . 10.0 110.032 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -66.15 -51.74 54.95 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' C' ' 56' ' ' LEU . 2.3 mm? -68.19 -28.81 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . 0.509 ' HE1' ' HB3' ' C' ' 16' ' ' PHE . 1.2 t80 -67.37 -48.89 66.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.071 0.462 . . . . 10.0 110.579 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.813 ' HE ' ' HA ' ' D' ' 42' ' ' ALA . 3.9 mmt-85 -65.31 -38.61 90.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.945 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -69.11 -28.06 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.764 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.0 -33.98 68.51 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.916 0.388 . . . . 10.0 110.006 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.48 ' O ' HG13 ' C' ' 65' ' ' VAL . 14.7 mm-40 -67.19 -44.73 78.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.004 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' C' ' 66' ' ' LYS . 32.4 p -70.96 -26.77 63.31 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -72.19 -45.86 58.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.595 -0.275 . . . . 10.0 111.651 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . 0.974 HG21 HG11 ' C' ' 12' ' ' VAL . 2.1 m -67.37 -45.92 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.084 0.401 . . . . 10.0 112.084 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.62 HG12 HD11 ' C' ' 9' ' ' LEU . 8.9 m -65.46 -28.85 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' C' ' 62' ' ' SER . 8.6 tmtt? -82.76 -38.35 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.786 0.291 . . . . 10.0 111.786 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . 0.489 ' O ' HG13 ' C' ' 71' ' ' ILE . 72.4 t -70.83 -51.95 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -63.57 -38.39 90.94 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.034 0.753 . . . . 10.0 113.034 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.464 ' HA ' ' HD2' ' C' ' 69' ' ' LYS . 4.7 mmmm -70.62 -34.71 72.4 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.739 -0.385 . . . . 10.0 111.698 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -34.01 77.16 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.892 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . 0.489 HG13 ' O ' ' C' ' 67' ' ' VAL . 64.1 mt -69.75 -44.38 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.075 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 3.2 m-20 -64.77 -27.79 69.13 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.618 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.4 68.97 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.776 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.9 -44.13 61.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.441 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.412 HG13 ' O ' ' C' ' 71' ' ' ILE . 13.8 mt -66.86 -38.35 81.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.009 0.433 . . . . 10.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . 0.454 HG13 ' ND2' ' D' ' 63' ' ' ASN . 1.5 tp -66.69 -33.75 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.126 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -75.74 -23.89 56.08 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.288 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 . . . . . 0 C--O 1.233 0.194 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 177.886 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.544 0.211 . . . . 10.0 111.373 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.4 65.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.548 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -39.22 78.19 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.48 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.423 ' O ' HG22 ' D' ' 20' ' ' VAL . 37.4 m-85 -76.41 -28.83 56.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.27 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -64.93 -45.31 86.34 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.429 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 5.5 m -78.47 -26.04 45.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.349 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.18 -38.67 95.49 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 121.106 -0.569 . . . . 10.0 113.048 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.423 HG22 ' O ' ' D' ' 16' ' ' PHE . 31.0 m -118.99 32.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.963 0.411 . . . . 10.0 111.247 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.09 -45.08 95.1 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.915 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -82.14 -13.6 56.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.419 . . . . 10.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.465 ' O ' HG23 ' D' ' 27' ' ' VAL . 2.6 tt -70.88 -27.49 63.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -61.38 -47.19 86.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.229 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -72.12 -26.01 61.95 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.658 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -71.81 -30.29 65.35 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.409 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.465 HG23 ' O ' ' D' ' 23' ' ' LEU . 90.0 t -72.66 -44.11 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.546 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 37.4 p -70.53 -27.37 64.11 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.442 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -71.06 -42.11 69.87 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.973 0.416 . . . . 10.0 110.33 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.94 -23.89 58.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.821 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.429 HD21 HG22 ' B' ' 12' ' ' VAL . 51.8 tp -70.78 -38.57 73.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.154 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . 0.576 ' HA ' ' HD3' ' B' ' 15' ' ' LYS . 0.8 OUTLIER -70.52 -41.83 72.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.381 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -24.67 61.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.439 0.533 . . . . 10.0 112.439 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.66 -53.05 14.84 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.549 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . 0.416 ' HB3' ' HG2' ' B' ' 15' ' ' LYS . . . -75.61 -12.68 60.26 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.359 . . -98.35 8.72 44.46 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -136.62 108.3 9.26 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 114.15 -1.386 . . . . 10.0 107.364 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.502 ' O ' HD12 ' B' ' 56' ' ' LEU . 97.5 Cg_exo -48.11 -74.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.155 2.57 . . . . 10.0 114.02 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -99.88 121.83 41.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' D' ' 41' ' ' PRO . 7.9 p-10 -142.1 89.29 8.79 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 115.471 1.656 . . . . 10.0 115.471 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' D' ' 40' ' ' ASP . 17.8 Cg_endo -64.75 -45.28 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.817 1.678 . . . . 10.0 111.966 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.813 ' HA ' ' HE ' ' C' ' 58' ' ' ARG . . . -74.53 -51.05 15.78 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.36 -25.68 68.4 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -30.94 65.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.29 -39.54 64.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.912 0.387 . . . . 10.0 110.589 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.59 -35.87 68.02 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.39 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 31.1 t80 -65.43 -44.96 85.7 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -68.53 -35.79 77.94 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 60.6 m -76.07 -41.44 50.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -77.83 -28.92 50.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 4.6 tp -72.2 -37.0 69.36 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.868 0.366 . . . . 10.0 110.303 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 83.7 p -73.87 -29.56 62.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.408 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -65.84 -37.09 85.29 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -69.23 -34.39 74.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.337 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -63.94 -49.44 72.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.923 -1.035 . . . . 10.0 111.826 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.0 mm? -68.42 -27.1 65.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.07 0.767 . . . . 10.0 113.07 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.65 -49.22 74.09 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.641 0.258 . . . . 10.0 111.587 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -70.53 -30.83 67.68 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -73.95 -37.0 64.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 10.0 111.114 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.68 -29.62 63.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.77 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -70.03 -39.33 75.84 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.175 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 32.7 p -71.59 -27.61 63.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.029 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . 0.454 ' ND2' HG13 ' C' ' 76' ' ' ILE . 94.8 m-20 -75.83 -37.44 59.04 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 7.9 p -69.14 -42.09 76.45 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 12.9 p -77.06 -22.08 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 29.9 tptp . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 111.985 0.365 . . . . 10.0 111.985 -179.521 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 121.024 0.44 . . . . 10.0 111.588 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -154.74 152.11 29.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.198 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.03 -175.22 36.94 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.813 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.6 t80 -67.89 -40.48 83.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.429 -0.385 . . . . 10.0 110.599 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.828 HD11 HG12 ' A' ' 65' ' ' VAL . 16.1 tp -71.15 -33.86 70.44 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.453 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -71.93 -27.85 63.08 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.429 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.84 -40.59 68.94 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.87 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 8' ' ' TYR . 41.2 t -69.06 -36.15 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.016 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.3 t -66.45 -46.42 76.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.545 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.51 61.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.245 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -62.32 -46.84 86.92 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.033 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.581 ' O ' HG22 ' A' ' 20' ' ' VAL . 43.8 m-85 -72.23 -32.51 66.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.134 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -65.57 -51.32 60.65 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -69.89 -23.34 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.245 0.545 . . . . 10.0 109.748 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' C' ' 35' ' ' ALA . . . -71.59 -43.31 52.88 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.431 -0.804 . . . . 10.0 112.527 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 34.3 m -106.04 31.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.767 0.318 . . . . 10.0 111.429 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.02 -50.53 73.37 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.262 -0.427 . . . . 10.0 111.189 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -81.68 -15.79 53.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.194 0.521 . . . . 10.0 110.501 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.652 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.0 tm? -71.26 -39.99 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.314 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.12 -39.28 94.24 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.136 -0.484 . . . . 10.0 112.104 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 14.0 t -71.83 -25.8 62.12 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.576 -0.283 . . . . 10.0 111.19 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -73.58 -28.05 61.63 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.965 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 23' ' ' LEU . 39.6 t -69.93 -45.5 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-O 120.974 0.416 . . . . 10.0 110.04 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.6 p -73.95 -29.67 62.13 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.627 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 25' ' ' THR . 2.0 tm-20 -67.84 -41.88 82.26 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.032 0.444 . . . . 10.0 110.152 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.14 -23.82 54.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.888 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 tp -70.84 -40.55 72.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.412 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -70.27 -31.37 68.7 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.648 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 81.5 mttt -68.38 -44.32 75.38 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.967 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -25.82 68.2 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.88 -18.36 63.41 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.3 6.3 10.7 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.906 0.336 . . . . 10.0 111.906 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 45.2 mmtm -113.41 119.81 41.13 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-N 116.695 -0.23 . . . . 10.0 111.567 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 17.0 Cg_exo -68.84 -66.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.935 2.424 . . . . 10.0 111.14 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 p -120.86 125.2 46.91 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.899 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -136.89 97.45 11.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 112.753 0.649 . . . . 10.0 112.753 -178.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 31.3 Cg_endo -65.65 -43.63 9.73 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.578 2.185 . . . . 10.0 112.165 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.24 -39.79 53.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.155 -0.475 . . . . 10.0 112.055 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.899 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.2 mm? -71.74 -20.37 61.9 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -71.1 -41.04 71.13 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.014 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.12 -30.88 68.18 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.476 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.8 -45.0 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.986 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -71.8 -36.25 70.23 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 111.821 0.304 . . . . 10.0 111.821 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -40.84 97.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.5 t -75.04 -41.39 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.401 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -69.09 -34.78 75.65 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.588 0.588 . . . . 10.0 112.588 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.03 -35.59 61.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.825 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.8 p -72.21 -32.33 66.66 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.913 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.48 -36.15 78.53 Favored 'General case' 0 C--N 1.333 -0.118 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -64.69 -31.01 72.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.341 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -66.31 -43.51 86.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.185 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 56' ' ' LEU . 3.1 mm? -72.05 -28.77 63.56 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.396 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.01 -50.98 66.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.806 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -68.36 -30.64 69.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.384 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.87 -32.02 65.12 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.351 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.92 -37.63 70.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.807 0.336 . . . . 10.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -72.95 -39.7 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.394 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.4 p -71.24 -30.53 66.44 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -75.02 -35.51 61.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.087 0.403 . . . . 10.0 112.087 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 p -70.12 -38.67 75.65 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.828 HG12 HD11 ' A' ' 9' ' ' LEU . 28.6 m -75.8 -22.15 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.732 0.301 . . . . 10.0 111.038 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.649 ' HE2' ' HA ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -75.48 -48.3 23.27 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -179.385 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.61 -36.36 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -67.54 -34.25 76.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.455 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 16.2 mmmt -74.3 -34.81 63.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.616 0.599 . . . . 10.0 112.616 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -60.74 -49.12 78.79 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 123.187 0.305 . . . . 10.0 110.85 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.725 HD11 HH11 ' C' ' 58' ' ' ARG . 0.1 OUTLIER -61.39 -36.95 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.752 ' HA ' HD12 ' A' ' 75' ' ' ILE . 6.2 t70 -67.64 -25.74 65.88 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.07 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.052 0.453 . . . . 10.0 109.869 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.7 64.27 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.545 0.688 . . . . 10.0 109.439 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 72' ' ' ASP . 1.6 mt -57.97 -55.83 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 114.331 -1.304 . . . . 10.0 111.915 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.688 HG13 ' O ' ' A' ' 72' ' ' ASP 0.254 2.0 pp -76.38 -14.67 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 114.339 1.237 . . . . 10.0 114.339 -178.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -36.27 75.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.812 0.671 . . . . 10.0 112.812 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -92.99 -17.65 23.65 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.089 0.471 . . . . 10.0 110.989 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.756 ' HE1' ' CD2' ' D' ' 47' ' ' TYR . 0.6 OUTLIER -76.94 154.48 33.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.981 179.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.798 ' HD3' HD21 ' D' ' 51' ' ' LEU . 2.9 ttt180 . . . . . 0 N--CA 1.443 -0.808 0 CA-C-O 117.592 -1.194 . . . . 10.0 109.075 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.304 -0.319 . . . . 10.0 112.304 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.421 ' O ' HG23 ' B' ' 12' ' ' VAL . 22.7 t80 -67.21 -44.55 79.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.593 0.235 . . . . 10.0 111.259 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -31.05 67.84 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.951 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -72.24 -28.56 63.23 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.618 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.55 -43.76 65.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.796 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.921 HG11 HG21 ' B' ' 64' ' ' THR . 12.0 t -68.75 -32.11 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.765 0.317 . . . . 10.0 111.192 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.0 t -66.93 -45.51 77.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.325 -0.398 . . . . 10.0 109.989 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.19 -22.11 60.53 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.808 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -62.39 -44.79 95.61 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.918 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.544 ' O ' HG22 ' B' ' 20' ' ' VAL . 33.7 m-85 -75.8 -32.23 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.025 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.0 -51.73 55.75 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 10.0 m -68.36 -23.27 64.66 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.596 -0.891 . . . . 10.0 108.596 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.21 -51.17 23.85 Favored Glycine 0 N--CA 1.438 -1.178 0 CA-C-N 114.789 -1.096 . . . . 10.0 112.408 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.641 ' HB ' ' HB3' ' B' ' 23' ' ' LEU . 35.7 m -97.17 31.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 10.0 111.783 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.78 -49.2 78.46 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.032 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -83.84 -15.97 46.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.171 0.51 . . . . 10.0 110.478 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.641 ' HB3' ' HB ' ' B' ' 20' ' ' VAL . 1.8 tm? -71.64 -40.05 69.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.621 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -60.72 -40.54 92.72 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.944 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' B' ' 29' ' ' GLU . 15.4 t -73.19 -25.75 60.9 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.325 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -73.26 -28.05 61.91 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.209 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 23' ' ' LEU . 44.7 t -72.18 -44.97 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.882 0.372 . . . . 10.0 110.168 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.9 p -72.45 -28.75 63.13 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.103 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 25' ' ' THR . 2.0 tm-20 -68.87 -40.84 79.06 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.04 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.35 -24.14 54.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.859 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 38.9 tp -72.28 -40.63 67.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.526 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -70.14 -31.29 68.73 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.53 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 78.5 mttt -69.32 -38.96 78.46 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.765 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -26.22 66.79 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.18 -0.464 . . . . 10.0 112.076 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.42 -12.27 60.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.405 -0.362 . . . . 10.0 111.381 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.32 6.2 11.18 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.59 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 44.8 mmtm -118.67 121.06 31.11 Favored Pre-proline 0 C--N 1.332 -0.184 0 N-CA-C 111.721 0.267 . . . . 10.0 111.721 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 17.0 Cg_exo -69.49 -53.63 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.901 2.401 . . . . 10.0 110.992 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 36.5 p -135.11 124.58 24.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.363 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.787 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -137.24 96.96 10.93 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -179.164 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 30.9 Cg_endo -65.32 -41.33 16.26 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.606 2.204 . . . . 10.0 112.229 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.74 -41.49 53.15 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.057 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.787 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.7 mm? -71.8 -20.59 61.83 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.877 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' B' ' 40' ' ' ASP . 1.5 tt -72.63 -40.35 66.5 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.08 -31.27 65.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.445 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.44 62.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.664 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -70.83 -33.74 70.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.069 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -40.41 95.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.809 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 42.3 t -76.01 -38.91 56.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -70.71 -39.42 73.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.0 tp -72.29 -32.41 66.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.03 0.443 . . . . 10.0 110.304 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 59.7 p -74.43 -29.23 61.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.301 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.679 ' HA ' HD23 ' B' ' 56' ' ' LEU . 51.3 mt-10 -72.3 -35.02 68.57 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 177.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.14 -30.01 70.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.584 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.65 -45.19 83.9 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.307 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' B' ' 53' ' ' GLU . 0.6 OUTLIER -69.72 -28.83 66.15 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.874 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.3 -52.65 61.08 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.59 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -25.64 64.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.012 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.488 ' HB3' HD13 ' A' ' 76' ' ' ILE . 11.0 m-20 -77.34 -30.68 54.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.998 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.67 -52.2 27.82 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -59.01 -43.87 91.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.292 -0.867 . . . . 10.0 111.858 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 88.3 p -63.97 -43.88 94.44 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.521 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 13.6 m-80 -71.08 -33.39 70.17 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.295 0.48 . . . . 10.0 112.295 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.921 HG21 HG11 ' B' ' 12' ' ' VAL . 16.9 m -65.91 -50.33 64.81 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.835 0.35 . . . . 10.0 111.281 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 m -73.15 -14.08 16.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' B' ' 66' ' ' LYS . 18.7 tptp -75.21 -51.28 13.71 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.661 ' HB ' ' HD2' ' A' ' 80' ' ' ARG 0.264 96.6 t -81.63 -28.15 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 113.433 0.901 . . . . 10.0 113.433 -179.307 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -70.02 -36.86 75.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.63 0.252 . . . . 10.0 110.655 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.848 ' HE2' ' HA ' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -73.03 -35.2 66.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.536 179.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -64.71 -48.73 73.58 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.964 0.411 . . . . 10.0 111.037 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.548 ' O ' HG13 ' B' ' 75' ' ' ILE . 10.7 tp -65.73 -30.56 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.353 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . 0.664 ' HA ' HD12 ' B' ' 75' ' ' ILE . 32.9 t70 -72.5 -29.5 63.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.636 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.02 95.34 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.0 -32.24 73.34 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.873 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' B' ' 72' ' ' ASP . 59.2 mt -60.7 -49.58 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.099 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.413 HG13 ' H ' ' B' ' 76' ' ' ILE . 3.5 mt -64.43 -27.03 41.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.869 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.63 -35.99 79.96 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -98.93 0.72 44.63 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.947 0.403 . . . . 10.0 111.633 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.548 -179.577 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.795 0.331 . . . . 10.0 110.731 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -144.09 152.81 41.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.003 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.93 -177.64 43.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.657 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.87 -39.21 87.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.836 0.351 . . . . 10.0 110.671 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.85 -32.61 71.08 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.324 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.02 -29.47 65.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.015 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.19 -37.52 69.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.317 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 29.3 t -70.31 -39.29 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.422 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -65.18 -45.42 84.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.514 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.21 -22.62 61.99 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.166 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -61.78 -45.02 95.69 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.632 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.587 ' O ' HG22 ' C' ' 20' ' ' VAL . 59.5 m-85 -77.1 -32.82 56.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.71 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -64.2 -44.16 92.83 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -76.18 -26.3 56.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.893 0.377 . . . . 10.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.82 -40.03 64.7 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.047 -0.596 . . . . 10.0 112.554 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.587 HG22 ' O ' ' C' ' 16' ' ' PHE . 33.8 m -105.22 30.65 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-O 120.791 0.329 . . . . 10.0 111.557 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.84 -54.34 46.28 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.026 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . 0.497 ' O ' HG22 ' C' ' 25' ' ' THR . 7.5 t-20 -82.4 -15.62 52.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.275 0.559 . . . . 10.0 110.402 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.514 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.2 tm? -70.72 -40.44 72.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.228 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.31 -36.05 82.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.814 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.497 HG22 ' O ' ' C' ' 22' ' ' ASN . 5.5 t -71.48 -25.96 62.5 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.119 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -75.39 -26.19 58.25 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.617 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.437 HG23 ' O ' ' C' ' 23' ' ' LEU . 76.1 t -68.87 -44.66 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.111 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.851 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 36.9 p -77.28 -27.25 53.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.564 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' C' ' 25' ' ' THR . 1.3 tm-20 -67.85 -43.4 79.59 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.935 0.398 . . . . 10.0 110.441 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.3 -24.06 50.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.434 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 22.4 tp -70.64 -40.59 72.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.126 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.83 -30.7 67.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.827 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' C' ' 37' ' ' LYS . 81.4 mttt -68.36 -48.72 64.04 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.789 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -25.35 67.2 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.028 -0.533 . . . . 10.0 112.258 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HA3' ' A' ' 19' ' ' GLY . . . -57.93 -31.32 66.71 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.24 24.82 5.89 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 113.416 0.895 . . . . 10.0 113.416 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' C' ' 33' ' ' LYS . 35.9 mmtm -114.97 111.95 44.93 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.115 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' C' ' 37' ' ' LYS . 18.9 Cg_endo -60.05 -68.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.778 2.319 . . . . 10.0 112.659 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 37.1 p -128.14 124.52 37.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.331 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.4 OUTLIER -137.19 98.86 10.09 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.882 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 29.6 Cg_endo -65.34 -38.67 25.53 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.628 2.219 . . . . 10.0 112.306 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.03 -41.93 49.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.924 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.2 mm? -72.46 -20.64 61.36 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' C' ' 40' ' ' ASP . 0.6 OUTLIER -68.82 -39.4 80.04 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.678 0.275 . . . . 10.0 110.479 179.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.03 -30.64 62.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.458 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.24 -42.55 65.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.056 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -71.41 -34.92 70.77 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.183 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -66.06 -39.93 90.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.86 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.3 t -74.64 -39.15 62.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.55 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' C' ' 50' ' ' LYS . 23.5 mmtm -69.84 -35.85 75.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 tp -75.32 -34.39 61.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.257 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 91.3 p -75.32 -29.9 60.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.036 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.76 -35.87 79.49 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 107.893 -1.151 . . . . 10.0 107.893 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -66.37 -26.66 67.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 114.322 -1.308 . . . . 10.0 108.949 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -65.1 -50.13 67.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.922 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.92 -26.62 60.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -59.79 -54.11 50.06 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.725 HH11 HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -69.68 -33.58 72.75 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 111.777 0.288 . . . . 10.0 111.777 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -67.39 -31.78 72.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.04 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.63 -33.15 58.37 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.887 0.375 . . . . 10.0 110.689 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.651 ' O ' HG23 ' C' ' 65' ' ' VAL . 46.8 tt0 -71.11 -50.0 38.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.994 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 95.3 p -64.23 -28.31 69.65 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.575 0.226 . . . . 10.0 111.154 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -69.24 -44.19 72.48 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.535 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 20.9 p -66.03 -37.15 85.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 10.0 112.011 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.651 HG23 ' O ' ' C' ' 61' ' ' GLN . 3.1 t -65.97 -42.64 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.915 0.388 . . . . 10.0 110.088 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . 0.636 ' HA ' ' HE2' ' C' ' 66' ' ' LYS . 0.3 OUTLIER -67.17 -47.69 70.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.974 0.731 . . . . 10.0 112.974 -178.613 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.44 -48.9 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 113.672 0.99 . . . . 10.0 113.672 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -65.47 -32.37 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 25.9 mmmt -73.36 -34.08 65.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.519 0.562 . . . . 10.0 112.519 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.67 -48.84 78.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.754 0.312 . . . . 10.0 111.274 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . 0.418 ' O ' HG13 ' C' ' 75' ' ' ILE . 13.9 tt -68.0 -33.56 61.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.578 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . 0.441 ' O ' HG12 ' C' ' 76' ' ' ILE . 29.3 t70 -67.2 -32.14 73.01 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.013 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.5 96.95 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.294 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.23 68.67 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.676 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.418 HG13 ' O ' ' C' ' 71' ' ' ILE . 84.1 mt -61.83 -49.46 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.341 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . 0.441 HG12 ' O ' ' C' ' 72' ' ' ASP . 31.9 mm -70.49 -21.8 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.613 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -65.18 -39.43 92.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.013 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.89 178.75 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 37.3 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.736 0.303 . . . . 10.0 110.73 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.81 61.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.493 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -64.56 -39.63 94.09 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.773 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.531 ' O ' HG22 ' D' ' 20' ' ' VAL . 47.4 m-85 -77.28 -37.86 51.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.691 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -64.92 -44.62 88.91 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -79.12 -28.87 42.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.349 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.33 -41.78 96.43 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.027 -0.606 . . . . 10.0 112.827 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.531 HG22 ' O ' ' D' ' 16' ' ' PHE . 34.3 m -112.72 33.72 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.019 0.438 . . . . 10.0 111.391 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.64 -43.04 89.6 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.379 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -79.45 -18.44 52.12 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.73 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.474 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.3 OUTLIER -71.22 -34.58 70.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.319 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -65.31 -41.24 94.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.167 -0.469 . . . . 10.0 112.027 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' D' ' 29' ' ' GLU . 15.4 t -72.42 -25.56 61.52 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.389 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -71.46 -30.65 66.25 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.16 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.474 HG23 ' O ' ' D' ' 23' ' ' LEU . 47.4 t -72.76 -41.25 61.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.443 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 35.7 p -74.09 -26.63 60.47 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.964 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' D' ' 25' ' ' THR . 2.1 tm-20 -72.29 -39.8 68.04 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.11 -23.9 59.38 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.262 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.23 -43.66 86.0 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.59 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.91 -31.82 68.57 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.375 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -69.27 -44.09 72.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.087 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -25.77 66.87 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.762 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.93 -40.12 66.46 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 113.052 0.76 . . . . 10.0 113.052 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.24 25.97 7.58 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.378 0.881 . . . . 10.0 113.378 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.15 103.2 52.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.155 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.06 -73.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.829 2.353 . . . . 10.0 112.734 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -85.04 141.04 30.56 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.745 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 27.5 m-20 -135.26 72.71 65.61 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 115.722 1.749 . . . . 10.0 115.722 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.38 -51.37 0.34 Allowed 'Trans proline' 0 CA--C 1.518 -0.292 0 C-N-CA 121.428 1.419 . . . . 10.0 111.334 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.32 -41.47 22.02 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.426 -1.261 . . . . 10.0 110.98 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.23 -19.62 65.88 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 115.183 -0.917 . . . . 10.0 112.928 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.745 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.7 OUTLIER -72.42 -49.57 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.48 -33.34 63.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.74 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.06 -53.6 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.16 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . 0.756 ' CD2' ' HE1' ' A' ' 79' ' ' PHE . 5.6 t80 -72.43 -43.76 63.37 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.762 1.023 . . . . 10.0 113.762 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . 0.61 ' HB2' HD13 ' D' ' 44' ' ' LEU . 0.9 OUTLIER -60.34 -44.31 95.65 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.852 0.316 . . . . 10.0 111.852 -179.292 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 38.2 t -67.74 -48.78 65.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 27.8 mmtm -68.15 -28.91 67.71 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.798 HD21 ' HD3' ' A' ' 80' ' ' ARG . 5.9 tt -75.11 -43.21 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.322 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 79.8 p -69.36 -29.67 67.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.931 0.396 . . . . 10.0 110.157 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.84 -35.87 77.47 Favored 'General case' 0 CA--C 1.523 -0.063 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' D' ' 51' ' ' LEU . 50.8 t80 -60.26 -33.64 72.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.21 -0.904 . . . . 10.0 109.465 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.88 -50.95 68.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.056 -0.975 . . . . 10.0 110.956 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.0 mm? -73.83 -26.44 60.6 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -59.92 -49.99 75.51 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.714 0.293 . . . . 10.0 111.4 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . 0.464 ' CZ ' HG12 ' B' ' 75' ' ' ILE . 0.1 OUTLIER -71.07 -32.85 69.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.119 -179.479 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . 0.419 ' OD1' HD11 ' B' ' 71' ' ' ILE . 94.5 m-20 -69.55 -27.88 65.52 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.656 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.24 -41.78 66.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.642 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . 0.608 ' O ' HG23 ' D' ' 65' ' ' VAL . 38.6 tt0 -73.26 -37.17 66.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.476 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 91.6 p -69.47 -31.36 69.6 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.1 0.407 . . . . 10.0 112.1 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -74.21 -37.17 63.95 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 19.1 p -69.09 -37.85 78.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . 0.608 HG23 ' O ' ' D' ' 61' ' ' GLN . 38.7 t -70.75 -33.01 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.871 0.367 . . . . 10.0 110.424 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 tptp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 10.0 112.41 -178.703 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.455 ' NE1' HD23 ' B' ' 23' ' ' LEU . 89.1 t90 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 109.681 -0.489 . . . . 10.0 109.681 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -158.68 129.2 6.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.794 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.93 177.9 16.51 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.007 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -30.88 71.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.716 0.293 . . . . 10.0 110.569 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.6 pt? -72.93 -29.54 63.2 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.116 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -72.56 -30.26 64.27 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.151 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -70.06 -36.62 75.1 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.974 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 54.5 t -74.74 -30.61 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.902 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.466 ' HA ' HE21 ' A' ' 61' ' ' GLN . 73.1 m -73.62 -29.73 62.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 10.0 110.237 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.79 -40.16 55.67 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.665 . . . . 10.0 112.448 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' C' ' 35' ' ' ALA . 0.0 OUTLIER -64.69 -37.5 87.8 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 -179.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' O ' HG22 ' A' ' 20' ' ' VAL . 9.5 m-85 -76.58 -29.26 56.54 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.931 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -65.77 -52.54 50.09 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 113.01 0.745 . . . . 10.0 113.01 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -73.22 -22.87 60.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.427 0.632 . . . . 10.0 109.504 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.29 -52.66 41.98 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 114.991 -1.004 . . . . 10.0 113.75 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 16' ' ' PHE . 15.5 m -105.6 31.43 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.927 0.394 . . . . 10.0 110.999 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.31 -55.97 17.68 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.601 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.41 -11.75 59.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.276 0.56 . . . . 10.0 110.616 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 tm? -68.53 -33.38 74.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.516 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 64.9 mt-30 -59.05 -46.83 87.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.99 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -70.06 -26.47 64.03 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.537 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -70.21 -30.35 67.42 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.021 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 23' ' ' LEU . 47.8 t -68.41 -46.53 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-O 120.864 0.364 . . . . 10.0 110.231 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.4 p -71.01 -26.73 63.25 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.825 -0.625 . . . . 10.0 112.067 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' HD2' ' A' ' 33' ' ' LYS . 9.2 mm-40 -73.82 -43.97 57.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.58 -0.282 . . . . 10.0 111.227 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.28 -26.02 62.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.774 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.2 tp -73.08 -36.57 66.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.203 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -70.6 -37.95 73.95 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.074 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -70.16 -30.9 68.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.48 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.86 -25.92 48.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.359 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.14 73.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.855 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.29 -9.44 45.06 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 10.5 mmtp -108.36 128.38 25.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.261 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 37.2 Cg_exo -62.48 -72.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.773 2.315 . . . . 10.0 112.08 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 m -133.51 123.99 26.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 10.0 110.798 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -137.73 118.0 10.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.084 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.2 -39.25 31.6 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.604 2.202 . . . . 10.0 112.237 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.74 -40.81 54.83 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.98 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HB2' ' CB ' ' A' ' 40' ' ' ASP . 3.9 mm? -71.68 -25.48 62.12 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 tp -73.63 -37.21 65.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.785 0.326 . . . . 10.0 110.247 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.14 -29.18 61.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.62 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -44.08 71.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.596 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -72.03 -33.6 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.811 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.25 -47.77 78.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.335 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.0 p -69.15 -39.39 78.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.309 -0.405 . . . . 10.0 112.014 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 30.3 mmtm -69.81 -34.11 73.24 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.192 0.442 . . . . 10.0 112.192 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.5 tp -75.1 -30.07 60.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.927 0.394 . . . . 10.0 110.216 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.1 m -74.57 -30.0 61.56 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.647 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -69.39 -36.57 76.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.666 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.38 -32.75 73.05 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.391 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.3 -39.53 89.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.105 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.89 -28.31 61.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.802 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.486 ' HE1' ' HB3' ' A' ' 16' ' ' PHE . 4.2 t80 -67.86 -49.44 62.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.86 0.362 . . . . 10.0 110.339 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 58' ' ' ARG . 1.1 mmp_? -71.63 -35.81 70.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.41 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -71.65 -39.59 70.23 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.586 0.588 . . . . 10.0 112.586 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.85 -31.19 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.596 0.236 . . . . 10.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.466 HE21 ' HA ' ' A' ' 13' ' ' SER . 41.0 tt0 -75.17 -38.33 60.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.035 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.5 p -71.25 -28.27 64.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.832 0.349 . . . . 10.0 110.921 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -73.84 -36.59 64.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.512 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p -69.64 -39.27 77.21 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.576 0.584 . . . . 10.0 112.576 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.22 -29.73 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 10.0 110.309 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -48.24 36.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.755 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.647 ' O ' HG13 ' A' ' 71' ' ' ILE . 45.0 t -70.12 -48.66 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 66.0 t80 -54.84 -42.77 72.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 69' ' ' LYS . 24.6 mmtm -72.11 -34.49 68.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.55 -30.82 71.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.099 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.706 HG12 HD22 ' C' ' 55' ' ' ASN . 4.4 mt -72.15 -47.48 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -56.81 -39.15 73.63 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.038 -0.983 . . . . 10.0 111.721 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.05 65.66 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.972 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.0 67.01 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.55 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 71' ' ' ILE . 2.9 mt -66.83 -36.73 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.216 0.531 . . . . 10.0 109.945 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' B' ' 56' ' ' LEU . 11.0 mt -60.95 -43.68 96.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.322 -0.853 . . . . 10.0 110.297 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.7 -31.06 66.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.475 -0.784 . . . . 10.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.55 -13.17 60.98 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.187 0.518 . . . . 10.0 110.184 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.47 ' CZ ' HD23 ' D' ' 51' ' ' LEU . 4.8 t80 -81.22 105.03 12.1 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.433 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.546 ' O ' HG22 ' B' ' 67' ' ' VAL . 7.1 tpt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.083 -0.96 . . . . 10.0 111.374 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.878 -0.489 . . . . 10.0 111.878 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.424 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.3 OUTLIER -66.72 -34.21 77.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.675 0.274 . . . . 10.0 111.008 179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.523 ' H ' HD23 ' B' ' 9' ' ' LEU . 1.2 pt? -72.2 -27.68 62.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.173 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.48 -32.65 66.4 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.179 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -70.99 -35.7 72.19 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.193 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.571 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 57.0 t -73.13 -32.87 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.868 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -73.63 -28.15 61.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.025 0.441 . . . . 10.0 109.948 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.17 -39.81 53.99 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.642 -0.708 . . . . 10.0 112.129 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.807 ' HZ1' HD12 ' D' ' 34' ' ' LEU . 7.0 ptmt -66.06 -38.95 89.61 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.902 0.382 . . . . 10.0 111.753 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.508 ' HB3' ' CE1' ' B' ' 57' ' ' TYR . 13.9 m-85 -74.41 -27.0 60.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.207 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.78 -53.39 57.92 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -73.88 -21.72 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.264 -1.013 . . . . 10.0 108.264 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.68 -52.13 53.8 Favored Glycine 0 CA--C 1.498 -1.018 0 CA-C-N 114.131 -1.395 . . . . 10.0 115.045 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.921 HG12 HD21 ' B' ' 23' ' ' LEU . 17.7 m -117.85 28.84 2.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.165 0.507 . . . . 10.0 110.593 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.573 ' HA ' HE21 ' B' ' 24' ' ' GLN . 28.9 t70 -63.06 -53.51 52.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.29 -0.868 . . . . 10.0 112.165 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -26.29 47.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.569 0.951 . . . . 10.0 113.569 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.921 HD21 HG12 ' B' ' 20' ' ' VAL 0.259 4.1 pp -71.03 -20.49 62.38 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.573 HE21 ' HA ' ' B' ' 21' ' ' ASP . 45.2 mt-30 -56.96 -49.24 76.29 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.035 0.445 . . . . 10.0 110.365 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.7 t -72.06 -26.23 62.1 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.535 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -69.51 -27.36 65.12 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.745 178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 23' ' ' LEU . 95.4 t -70.14 -46.62 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.0 p -70.91 -25.74 62.9 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.616 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.35 -43.94 54.45 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.113 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.47 -28.11 63.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 61.1 tp -72.95 -36.26 67.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.643 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.26 -43.12 82.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -71.79 -23.96 61.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.922 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -77.16 -30.97 55.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.961 0.41 . . . . 10.0 110.022 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.81 -22.59 56.17 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.993 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.95 -21.08 25.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.079 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -101.39 138.98 20.06 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.872 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -64.29 -66.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.562 2.175 . . . . 10.0 110.977 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -143.34 123.87 14.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.883 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 0.4 OUTLIER -137.03 112.9 9.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.301 -179.665 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.97 -31.63 66.28 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.531 2.154 . . . . 10.0 111.98 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.66 -42.13 52.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.188 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.5 mm? -72.27 -24.48 61.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.785 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 tp -72.72 -38.88 67.33 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 120.712 0.291 . . . . 10.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.58 -28.76 62.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.265 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.91 -44.77 69.0 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.976 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -71.46 -33.38 69.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.525 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.53 -49.65 70.44 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.358 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 77.7 p -67.64 -38.99 84.63 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -71.32 -38.0 71.72 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.34 -33.69 71.77 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.292 0.567 . . . . 10.0 109.803 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' B' ' 55' ' ' ASN . 67.6 m -73.17 -28.07 62.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.387 178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' B' ' 49' ' ' SER . 36.1 mt-10 -70.15 -36.45 74.75 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.11 -0.496 . . . . 10.0 109.925 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -67.7 -28.76 67.94 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' B' ' 52' ' ' SER . 28.5 t-20 -71.86 -28.75 63.75 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.737 -1.119 . . . . 10.0 109.159 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 76' ' ' ILE . 2.9 tm? -70.92 -34.73 71.81 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.738 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' B' ' 16' ' ' PHE . 19.5 t80 -69.16 -51.43 38.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.82 -0.627 . . . . 10.0 112.188 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -72.24 -29.76 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.506 0.928 . . . . 10.0 113.506 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 36.2 m-20 -78.25 -45.92 21.65 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.48 73.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.595 0.236 . . . . 10.0 111.012 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -70.04 -41.27 74.43 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 90.1 p -69.18 -23.98 64.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.921 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.637 ' O ' HG23 ' B' ' 67' ' ' VAL . 1.8 m-20 -75.98 -45.37 35.1 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.195 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.7 m -65.4 -40.64 93.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 10.0 112.028 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.86 -32.34 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.076 0.465 . . . . 10.0 110.615 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -73.36 -41.03 63.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.916 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 63' ' ' ASN . 56.5 t -67.22 -53.15 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.03 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . 0.799 ' HA ' HD12 ' B' ' 71' ' ' ILE . 37.6 t80 -56.03 -38.89 71.17 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -70.54 -35.41 73.12 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.959 0.355 . . . . 10.0 111.959 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -71.28 -29.45 65.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.867 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' B' ' 68' ' ' PHE . 38.2 mt -68.57 -49.68 63.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.635 -0.505 . . . . 10.0 109.635 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' B' ' 75' ' ' ILE . 68.9 m-20 -65.44 -36.79 84.97 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.544 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.97 73.41 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.64 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -38.22 73.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.157 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' B' ' 72' ' ' ASP . 13.7 mt -69.15 -37.61 76.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.29 -36.98 78.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.021 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -76.62 -26.79 55.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.341 -0.391 . . . . 10.0 111.277 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -79.49 -15.11 58.33 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.814 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 46.5 t80 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.265 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 56.4 t90 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.893 0.378 . . . . 10.0 109.997 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m -152.55 134.96 15.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.75 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.78 -178.63 15.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.852 -0.69 . . . . 10.0 111.974 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -31.5 72.4 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.648 0.261 . . . . 10.0 111.608 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.582 ' H ' HD23 ' C' ' 9' ' ' LEU . 1.5 pt? -72.46 -30.42 64.54 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.115 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -72.3 -32.47 66.6 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.08 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -70.39 -36.53 74.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.729 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.403 ' HA ' ' HG2' ' C' ' 15' ' ' LYS . 60.9 t -73.46 -31.84 34.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.714 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . 0.472 ' HA ' HE21 ' C' ' 61' ' ' GLN . 70.2 m -74.0 -27.45 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.578 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.47 59.01 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.926 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' C' ' 12' ' ' VAL . 7.1 ptmt -68.19 -33.01 73.65 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.648 -0.251 . . . . 10.0 111.464 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.642 ' HB3' ' HE1' ' C' ' 57' ' ' TYR . 8.8 m-85 -77.82 -32.41 52.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.126 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.57 -50.74 64.04 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.539 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -75.93 -24.17 55.5 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.82 -43.96 95.4 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.536 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.457 HG22 ' O ' ' C' ' 16' ' ' PHE . 27.6 m -112.13 29.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.693 0.282 . . . . 10.0 111.336 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.02 -56.02 25.94 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.325 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.43 -8.84 59.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.086 0.47 . . . . 10.0 110.88 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.456 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.0 tm? -70.51 -33.12 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.004 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' C' ' 20' ' ' VAL . 71.3 mt-30 -59.3 -44.93 92.49 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.652 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -71.08 -26.51 63.09 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.53 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -70.52 -28.66 65.11 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.797 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.456 HG23 ' O ' ' C' ' 23' ' ' LEU . 65.7 t -69.94 -45.76 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.081 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 35.2 p -72.22 -24.71 61.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.903 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.59 -46.48 54.05 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.534 -0.303 . . . . 10.0 110.988 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.37 -24.2 61.23 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.094 0.474 . . . . 10.0 110.206 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' C' ' 27' ' ' VAL . 13.4 tp -67.56 -43.91 79.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.83 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.22 -33.97 70.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.735 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -40.78 83.03 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.072 0.397 . . . . 10.0 112.072 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 35.0 tp -75.94 -24.72 55.5 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . 0.69 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . . . -49.85 -45.97 50.89 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . 0.273 . . -111.24 24.66 12.59 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 114.81 1.411 . . . . 10.0 114.81 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.491 ' HB3' ' OD1' ' C' ' 40' ' ' ASP . 1.0 OUTLIER -117.94 109.07 41.6 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 176.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -43.67 -68.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.875 3.05 . . . . 10.0 113.778 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 66.0 m -147.03 124.03 11.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.858 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.576 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 5.2 m-20 -137.11 118.89 11.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.668 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.68 -36.31 53.1 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.519 2.146 . . . . 10.0 111.867 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.63 -39.25 58.11 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.784 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.576 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.1 mm? -72.37 -28.53 63.07 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.3 -38.98 68.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.464 -0.335 . . . . 10.0 110.653 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.1 -29.22 61.74 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.761 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.04 66.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.956 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -71.33 -34.01 70.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.946 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -63.23 -45.71 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.07 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 59.1 p -70.83 -39.0 73.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 10.0 112.062 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -69.97 -34.91 73.99 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -75.4 -31.55 60.47 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.765 0.317 . . . . 10.0 110.773 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 66.6 m -74.75 -29.92 61.31 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.429 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.91 -36.38 83.22 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -68.83 -34.26 75.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.161 -0.927 . . . . 10.0 109.231 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . 0.706 HD22 HG12 ' A' ' 71' ' ' ILE . 28.5 t-20 -64.65 -46.16 83.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.147 -0.933 . . . . 10.0 111.311 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' C' ' 56' ' ' LEU . 1.8 mm? -74.43 -28.49 61.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . 0.642 ' HE1' ' HB3' ' C' ' 16' ' ' PHE . 0.2 OUTLIER -64.97 -47.97 75.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 10.0 110.982 179.383 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.514 ' NH2' ' HB3' ' C' ' 61' ' ' GLN . 1.3 mmp_? -78.93 -33.45 45.38 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -67.35 -32.95 74.24 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.845 -0.342 . . . . 10.0 111.149 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.87 -31.09 56.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.597 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.514 ' HB3' ' NH2' ' C' ' 58' ' ' ARG . 45.8 tt0 -74.67 -37.55 62.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 52.1 p -71.15 -30.79 66.9 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.831 0.348 . . . . 10.0 110.144 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -75.23 -39.12 60.26 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.782 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 11.7 p -67.77 -37.97 82.8 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.666 0.247 . . . . 10.0 111.666 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 82.5 t -69.88 -33.77 57.25 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.103 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -74.39 -43.17 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . 0.494 ' O ' HG13 ' C' ' 71' ' ' ILE . 78.8 t -70.36 -48.36 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -60.96 -43.39 98.81 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.378 0.511 . . . . 10.0 112.378 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.616 ' HE3' ' HA ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -66.75 -34.48 77.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.681 -0.236 . . . . 10.0 111.296 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -31.04 71.37 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.462 -0.336 . . . . 10.0 111.064 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . 0.494 HG13 ' O ' ' C' ' 67' ' ' VAL . 74.7 mt -69.29 -42.81 81.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . 0.527 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 65.4 m-20 -67.54 -31.96 72.42 Favored 'General case' 0 C--N 1.335 -0.049 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.854 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.81 56.85 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.793 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.68 -46.09 48.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 10.0 110.837 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 51.7 mt -71.41 -30.98 41.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.623 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' C' ' 72' ' ' ASP . 1.7 tp -69.12 -34.14 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -83.64 -19.53 35.24 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.769 0.319 . . . . 10.0 111.266 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 . . . . . 0 C--O 1.231 0.115 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.035 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.68 0.276 . . . . 10.0 111.272 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.79 -42.74 57.57 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.64 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -28.65 65.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.484 -0.326 . . . . 10.0 111.578 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.62 ' HB3' ' HE1' ' D' ' 57' ' ' TYR . 2.5 m-85 -77.96 -37.46 47.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.007 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.16 -50.2 66.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.429 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -75.22 -23.96 57.66 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.82 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.07 -43.13 96.15 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.916 -0.584 . . . . 10.0 112.84 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' D' ' 23' ' ' LEU . 31.1 m -115.02 32.24 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 10.0 111.152 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.4 -51.81 68.31 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.541 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' D' ' 26' ' ' GLN . 0.9 OUTLIER -82.37 -10.88 58.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.169 179.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.511 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 0.9 OUTLIER -71.15 -25.86 62.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.762 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -65.51 -45.67 82.62 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.43 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -72.47 -25.93 61.61 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.548 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' D' ' 22' ' ' ASN . 91.8 mm-40 -70.88 -30.42 66.78 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.434 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.452 HG23 ' O ' ' D' ' 23' ' ' LEU . 95.0 t -72.16 -43.36 66.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.359 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -69.26 -28.08 66.0 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.5 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.31 -32.31 55.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.091 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.86 78.09 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.452 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.92 -34.48 66.63 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.78 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.08 -46.68 88.77 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.496 0.498 . . . . 10.0 111.374 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' D' ' 33' ' ' LYS . 10.1 mptt -71.24 -25.77 62.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.382 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.807 HD12 ' HZ1' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -76.34 -23.48 54.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.322 179.494 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.41 -55.27 35.71 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.792 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.477 . . -98.06 26.35 5.34 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 115.536 1.68 . . . . 10.0 115.536 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -136.6 100.75 10.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 105.928 -1.879 . . . . 10.0 105.928 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -69.0 -74.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.77 2.314 . . . . 10.0 115.233 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 13.6 m -93.26 124.07 36.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.874 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 6.5 m-20 -139.41 119.69 9.41 Favored Pre-proline 0 N--CA 1.446 -0.639 0 N-CA-C 114.194 1.183 . . . . 10.0 114.194 -177.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.497 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 53.0 Cg_endo -73.42 -50.57 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.488 2.125 . . . . 10.0 110.709 176.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.79 -52.57 6.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.396 -1.274 . . . . 10.0 112.423 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' D' ' 43' ' ' LEU . 2.4 mm? -63.55 -23.0 67.2 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.31 1.226 . . . . 10.0 114.31 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.874 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -73.79 -37.55 64.91 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.07 0.462 . . . . 10.0 109.868 179.081 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.86 65.83 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.09 -0.959 . . . . 10.0 111.237 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.94 83.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.686 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -72.47 -33.14 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.832 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -62.05 -52.42 64.0 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 45.3 p -68.95 -38.95 79.74 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 34.7 mmtm -69.19 -31.67 70.44 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 79' ' ' PHE . 17.0 tp -74.83 -31.82 61.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.841 0.353 . . . . 10.0 110.33 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 50.9 m -74.7 -29.12 61.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.47 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.26 -36.54 81.81 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -67.25 -31.51 71.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.188 -0.914 . . . . 10.0 109.749 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . 0.617 HD22 HG12 ' B' ' 71' ' ' ILE . 28.5 t-20 -62.28 -50.46 71.59 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.304 -0.862 . . . . 10.0 112.232 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' D' ' 56' ' ' LEU . 1.3 mm? -73.91 -27.16 60.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . 0.62 ' HE1' ' HB3' ' D' ' 16' ' ' PHE . 8.3 t80 -60.13 -44.9 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 10.0 110.506 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -81.35 -31.5 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 10.0 112.483 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -72.12 -42.72 65.74 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.656 0.265 . . . . 10.0 111.574 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.64 -29.93 65.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.154 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . 0.492 ' O ' HG23 ' D' ' 65' ' ' VAL . 46.0 tt0 -73.74 -40.19 63.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.238 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 90.3 p -71.77 -26.88 62.62 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.267 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -73.91 -38.42 64.35 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.626 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 9.8 p -67.47 -37.47 82.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.788 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . 0.492 HG23 ' O ' ' D' ' 61' ' ' GLN . 31.7 t -71.99 -34.05 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 120.89 0.376 . . . . 10.0 110.406 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.0 tptp . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.862 -179.492 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.609 ' HZ3' ' HB3' ' D' ' 38' ' ' PRO . 79.8 m95 . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 120.613 0.244 . . . . 10.0 111.321 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -144.56 116.95 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 10.0 111.326 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.83 -177.15 38.97 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.758 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.444 ' O ' HG23 ' A' ' 12' ' ' VAL . 48.3 m-85 -67.11 -43.53 82.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.897 0.348 . . . . 10.0 111.283 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 tp -75.49 -38.4 59.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.137 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.17 -36.82 85.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.575 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -70.45 -36.05 73.7 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.973 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 8' ' ' TYR . 55.2 t -67.96 -38.97 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.714 0.292 . . . . 10.0 111.014 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 m -65.62 -47.4 75.76 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.738 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -21.92 60.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.995 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -63.53 -54.56 34.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.922 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 20' ' ' VAL . 68.6 m-85 -75.98 -30.6 58.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.67 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -51.01 63.38 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -79.15 -23.46 43.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.963 0.411 . . . . 10.0 110.22 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.05 -47.66 71.74 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-N 115.694 -0.684 . . . . 10.0 112.831 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 27.7 m -116.9 32.66 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.18 -47.83 82.74 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.499 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.405 ' O ' HG22 ' A' ' 25' ' ' THR . 8.2 t-20 -80.48 -12.57 59.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.249 0.547 . . . . 10.0 111.049 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.1 tm? -66.3 -30.92 71.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.231 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.55 -45.74 90.92 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 22' ' ' ASN . 14.7 t -70.84 -25.94 63.06 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.519 -0.309 . . . . 10.0 111.332 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -68.87 -32.16 71.63 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.961 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 23' ' ' LEU . 47.0 t -69.24 -44.77 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.906 0.384 . . . . 10.0 110.325 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.0 p -71.49 -24.48 61.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.874 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.85 -42.34 58.14 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.029 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.82 -30.29 66.69 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.721 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.2 tp -73.02 -35.99 66.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.822 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.5 -44.67 95.8 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.138 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 8.8 mptt -71.34 -29.8 65.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.604 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -32.82 74.71 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.455 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.61 -25.17 66.48 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.36 4.74 22.88 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 40.4 mmtm -110.22 125.56 30.77 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 112.034 0.383 . . . . 10.0 112.034 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 12.5 Cg_exo -71.47 -65.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.952 2.434 . . . . 10.0 110.866 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -118.64 124.1 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.798 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.38 95.86 11.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 28.0 Cg_endo -64.23 -43.02 15.81 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.478 2.119 . . . . 10.0 112.377 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.81 -41.28 53.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.798 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.7 mm? -71.21 -24.45 62.21 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.99 -41.66 70.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.871 0.367 . . . . 10.0 110.653 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -31.42 62.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.768 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.62 69.76 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.034 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -71.12 -34.18 70.82 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.705 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -66.29 -39.49 89.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.336 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.598 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 39.7 t -73.41 -42.75 61.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.729 -0.669 . . . . 10.0 111.37 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 66.4 mmtt -69.32 -32.64 71.88 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.586 0.588 . . . . 10.0 112.586 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.1 -33.34 61.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.783 0.325 . . . . 10.0 110.942 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.5 p -74.06 -29.4 61.86 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.367 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 49' ' ' SER . 51.0 mt-10 -66.48 -37.01 84.16 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -68.26 -36.7 79.82 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.928 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -64.66 -43.83 92.35 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.284 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.9 mm? -67.7 -35.68 79.26 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.221 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.23 -48.3 76.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.792 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.719 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -75.46 -35.59 60.85 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 4.8 m-20 -71.82 -39.73 69.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.22 -32.02 66.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.562 0.22 . . . . 10.0 111.157 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.638 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.8 tt0 -74.39 -47.25 35.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.067 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -64.32 -28.1 69.48 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.844 0.354 . . . . 10.0 110.804 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.6 t-20 -72.58 -42.6 64.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.81 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.3 p -69.44 -37.26 77.28 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.6 t -63.98 -44.21 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.659 0.266 . . . . 10.0 111.391 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.85 -48.06 40.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.65 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.9 t -64.97 -51.24 69.19 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.846 ' HE1' ' HB3' ' D' ' 39' ' ' SER . 54.9 t80 -56.47 -37.75 70.75 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.597 0.561 . . . . 10.0 112.053 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 12.5 mmmt -73.13 -35.27 66.49 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -61.42 -33.79 74.29 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.851 0.357 . . . . 10.0 110.272 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.666 ' O ' HD12 ' A' ' 75' ' ' ILE . 3.0 mt -68.83 -51.54 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.842 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.409 ' OD1' HD13 ' D' ' 44' ' ' LEU . 0.8 OUTLIER -53.86 -42.21 68.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.014 -0.994 . . . . 10.0 111.86 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -73.81 -26.93 60.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.994 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -47.58 65.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.69 -0.232 . . . . 10.0 111.072 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 71' ' ' ILE . 3.1 mt -63.6 -38.19 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.016 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 79' ' ' PHE . 19.5 mt -56.51 -43.41 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.17 -0.923 . . . . 10.0 110.714 179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -83.59 -13.53 54.14 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.157 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.511 ' O ' ' HG3' ' C' ' 66' ' ' LYS . 68.8 m-20 -85.97 -2.25 58.11 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 76' ' ' ILE . 1.4 m-85 -54.03 -84.52 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.264 177.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.908 ' HA ' ' HE3' ' C' ' 66' ' ' LYS . 59.3 mtm180 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.313 -0.851 . . . . 10.0 111.038 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.457 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.465 ' O ' HG23 ' B' ' 12' ' ' VAL . 65.8 m-85 -66.68 -45.69 78.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.005 0.403 . . . . 10.0 111.483 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 tp -75.31 -39.12 59.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.534 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -64.99 -39.94 94.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.711 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.66 ' HB3' HD11 ' D' ' 31' ' ' LEU . 0.5 OUTLIER -69.08 -35.25 76.28 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.699 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.781 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 53.8 t -66.35 -34.09 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.325 0.583 . . . . 10.0 111.003 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m -71.53 -45.27 62.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.372 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.72 -25.36 56.54 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.837 ' HE3' ' HG ' ' D' ' 34' ' ' LEU . 0.5 OUTLIER -65.48 -49.01 70.64 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.811 0.3 . . . . 10.0 111.811 -179.181 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.688 ' N ' ' HG3' ' B' ' 15' ' ' LYS . 33.8 m-85 -76.64 -31.7 57.52 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.692 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.5 OUTLIER -66.09 -52.78 45.56 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 114.499 1.296 . . . . 10.0 114.499 -178.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -77.38 -23.81 50.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 10.0 111.872 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.6 -48.12 13.95 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 115.186 0.834 . . . . 10.0 115.186 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.636 HG22 ' O ' ' B' ' 16' ' ' PHE . 34.3 m -109.26 31.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.385 0.612 . . . . 10.0 112.119 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' B' ' 17' ' ' ASP . 13.3 t70 -71.18 -20.54 62.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.372 -0.831 . . . . 10.0 110.633 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.531 ' HB3' ' HE1' ' A' ' 5' ' ' TRP . 6.3 t-20 -93.11 -23.84 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.621 ' HG ' ' HB ' ' B' ' 20' ' ' VAL 0.284 0.8 OUTLIER -68.52 -21.29 64.58 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.607 0.966 . . . . 10.0 113.607 -179.833 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.417 ' N ' HD12 ' B' ' 23' ' ' LEU . 81.8 mm-40 -57.9 -47.33 83.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.006 0.431 . . . . 10.0 110.211 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -73.79 -25.87 60.35 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.78 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -69.85 -31.76 69.78 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.145 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 23' ' ' LEU . 98.7 t -70.88 -45.07 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.898 0.38 . . . . 10.0 110.015 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 39.3 p -69.56 -24.74 63.75 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.457 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.99 -41.18 52.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.637 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.48 64.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.695 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -73.17 -35.96 66.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.624 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.05 -44.82 91.31 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.699 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.95 -24.2 61.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.656 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -67.99 -34.59 76.81 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.994 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.61 -12.03 60.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.889 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.56 6.37 23.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.997 0.369 . . . . 10.0 111.997 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 43.9 mmtm -122.4 126.82 26.08 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 16.9 Cg_exo -69.45 -58.36 0.1 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.89 2.393 . . . . 10.0 110.551 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.3 p -130.81 124.68 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.48 -0.782 . . . . 10.0 108.922 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.595 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.6 OUTLIER -136.6 95.88 12.41 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -178.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 27.7 Cg_endo -64.51 -34.53 52.77 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.452 2.101 . . . . 10.0 111.492 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.71 ' HA ' ' NH1' ' A' ' 58' ' ' ARG . . . -76.04 -46.58 28.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.227 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.9 mm? -71.34 -21.13 62.08 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.761 0.652 . . . . 10.0 112.761 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.7 tp -69.57 -43.66 72.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.872 0.368 . . . . 10.0 110.623 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.48 62.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.801 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.45 64.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.365 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -71.3 -33.71 69.94 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.833 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -66.09 -39.3 89.89 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.679 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 35.7 t -74.9 -38.69 61.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.338 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' B' ' 50' ' ' LYS . 66.2 mmtt -74.35 -32.36 62.76 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.8 tp -74.09 -34.79 64.11 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 84.0 p -74.07 -28.1 61.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.255 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.744 ' HA ' HD23 ' B' ' 56' ' ' LEU . 19.6 mt-10 -67.04 -37.1 83.51 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.306 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -69.56 -30.05 67.75 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 66.8 t30 -69.02 -42.79 75.91 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.791 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' B' ' 53' ' ' GLU . 0.7 OUTLIER -68.64 -29.61 68.13 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.802 0.334 . . . . 10.0 111.234 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -68.99 -47.02 66.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.555 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.624 ' HA ' ' HE ' ' B' ' 58' ' ' ARG . 0.6 OUTLIER -78.49 -33.35 48.26 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.473 0.545 . . . . 10.0 112.473 -179.419 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 3.2 m120 -71.23 -50.68 30.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.0 77.18 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.203 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.459 ' O ' HG23 ' B' ' 65' ' ' VAL . 41.2 tt0 -70.35 -45.06 66.87 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.478 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 80.7 p -65.78 -24.65 66.98 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.785 0.326 . . . . 10.0 110.805 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.499 ' O ' HG12 ' B' ' 67' ' ' VAL . 0.4 OUTLIER -74.85 -44.56 48.45 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.161 179.155 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 34.5 p -70.25 -37.24 74.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 10.0 112.071 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 61' ' ' GLN . 49.3 t -61.0 -42.34 92.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.273 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -73.64 -45.73 50.96 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 113.36 0.874 . . . . 10.0 113.36 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 80' ' ' ARG . 5.6 p -61.17 -48.37 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -64.92 -35.43 81.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.649 0.262 . . . . 10.0 111.516 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.573 ' HA ' ' HE3' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -73.63 -36.46 65.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -70.95 -38.91 72.85 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.625 0.25 . . . . 10.0 111.625 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 75' ' ' ILE . 15.8 pt -75.06 -29.19 21.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.402 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -72.07 -40.89 67.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.062 0.458 . . . . 10.0 109.807 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 -21.91 60.46 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.741 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.39 -38.6 74.72 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.416 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 71' ' ' ILE . 14.0 mt -65.54 -42.58 93.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.088 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 68.2 mt -58.65 -37.53 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.26 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.51 -19.6 35.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.612 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -89.33 -0.18 57.28 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.278 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.447 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 12.6 m95 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 120.639 0.257 . . . . 10.0 110.999 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 17.1 p -148.4 124.46 10.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.01 0.433 . . . . 10.0 111.302 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.07 -169.98 40.37 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.8 -0.637 . . . . 10.0 111.728 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -66.75 -47.22 72.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.751 0.31 . . . . 10.0 111.513 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 37.4 tp -74.74 -36.07 62.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.504 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -67.45 -35.82 79.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.974 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' C' ' 15' ' ' LYS . 0.5 OUTLIER -71.44 -36.32 71.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.578 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.47 -40.13 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.713 0.292 . . . . 10.0 110.987 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 48.6 m -65.57 -45.22 84.1 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.108 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.89 59.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.557 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' C' ' 11' ' ' ASP . 5.2 tptp -67.19 -46.51 73.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.489 ' O ' HG22 ' C' ' 20' ' ' VAL . 57.2 m-85 -77.87 -32.95 52.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.673 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -50.59 65.79 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.175 0.435 . . . . 10.0 112.175 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -79.28 -23.98 43.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 10.0 111.292 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.55 -49.15 58.03 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.999 -0.62 . . . . 10.0 113.046 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.524 ' HB ' ' HB3' ' C' ' 23' ' ' LEU . 27.0 m -110.11 31.63 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 111.982 0.364 . . . . 10.0 111.982 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.87 -48.81 78.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -85.61 -11.4 54.03 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.042 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.524 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.0 tm? -65.67 -33.48 75.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.351 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -58.38 -47.18 84.7 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.116 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -69.12 -25.77 64.56 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.427 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -69.37 -30.69 68.74 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.568 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 67.3 t -68.79 -46.23 79.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.414 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.3 p -71.23 -24.72 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.827 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -72.52 -47.05 51.5 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.285 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.48 -29.17 67.72 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.957 0.408 . . . . 10.0 110.808 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 40.3 tp -72.98 -34.99 66.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.257 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.76 -37.73 87.76 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.249 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' C' ' 33' ' ' LYS . 0.6 OUTLIER -71.87 -32.82 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 10.0 110.949 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.444 HD12 ' HE1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -68.17 -21.22 64.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.395 179.239 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.14 -55.46 3.89 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 113.739 1.014 . . . . 10.0 113.739 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.57 25.3 5.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' C' ' 37' ' ' LYS . 0.0 OUTLIER -87.55 123.36 69.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 10.0 110.785 179.416 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.503 ' CB ' ' HG2' ' A' ' 53' ' ' GLU . 19.0 Cg_endo -59.41 -73.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.163 2.575 . . . . 10.0 113.21 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -131.63 125.61 32.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.003 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.768 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -135.63 92.58 16.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.485 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 22.6 Cg_endo -63.21 -37.7 49.51 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.585 2.19 . . . . 10.0 112.128 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.62 54.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.908 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.768 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.7 mm? -72.24 -22.28 61.27 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.504 0.557 . . . . 10.0 112.504 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.26 -42.6 71.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.863 0.363 . . . . 10.0 110.567 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.82 -31.03 63.03 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.706 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.18 66.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.139 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -69.6 -34.33 73.96 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.84 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -67.3 -39.42 85.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.871 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t -73.71 -42.13 61.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.613 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 71.3 mmtt -69.6 -31.89 70.29 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.331 0.493 . . . . 10.0 112.331 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tp -75.3 -33.69 61.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.645 0.259 . . . . 10.0 111.05 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -74.68 -30.82 61.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.382 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -64.05 -36.35 83.71 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -70.62 -35.89 73.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.046 -0.979 . . . . 10.0 109.898 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -61.45 -50.73 71.61 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.934 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' C' ' 56' ' ' LEU . 2.4 mm? -70.11 -27.01 64.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.034 -0.53 . . . . 10.0 112.381 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . 0.497 ' CD2' ' HG2' ' C' ' 58' ' ' ARG . 1.1 t80 -63.21 -54.97 29.17 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.843 0.312 . . . . 10.0 111.843 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.683 HH21 ' HG2' ' C' ' 61' ' ' GLN . 0.6 OUTLIER -75.94 -33.16 59.82 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -178.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -67.42 -40.25 85.53 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.554 0.216 . . . . 10.0 111.533 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.3 -32.28 62.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.407 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.683 ' HG2' HH21 ' C' ' 58' ' ' ARG . 5.9 tp60 -66.07 -52.44 48.9 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.118 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 58.9 p -64.15 -32.98 74.75 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.643 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -66.73 -50.03 64.08 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.973 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 28.9 p -64.12 -37.11 86.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.556 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.595 HG23 ' O ' ' C' ' 61' ' ' GLN . 54.1 t -60.2 -52.03 66.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.41 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . 0.908 ' HE3' ' HA ' ' A' ' 80' ' ' ARG . 4.3 tmtt? -72.44 -34.56 67.88 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.67 -48.58 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -64.68 -34.29 77.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.67 0.272 . . . . 10.0 111.463 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 28.1 mmmt -72.3 -34.12 67.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.812 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -63.83 -33.17 75.09 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.763 0.316 . . . . 10.0 110.374 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.56 -41.89 72.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.684 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.9 -36.21 82.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.48 -22.41 47.54 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.206 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.47 -40.26 61.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.625 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.97 -42.59 82.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 5.7 tp -62.13 -31.55 51.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.505 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -84.69 -20.21 31.57 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.752 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 . . . . . 0 C--O 1.232 0.184 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.087 179.172 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.54 0.21 . . . . 10.0 111.442 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.08 -25.94 58.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.737 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -41.33 70.94 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.612 -0.267 . . . . 10.0 111.439 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.438 ' O ' HG22 ' D' ' 20' ' ' VAL . 47.1 m-85 -78.43 -44.24 25.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.73 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -50.82 65.46 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.9 m -79.51 -28.85 41.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.689 0.281 . . . . 10.0 111.631 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.03 -53.46 33.62 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.947 -0.644 . . . . 10.0 113.567 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.466 ' HB ' ' HB2' ' D' ' 23' ' ' LEU . 32.1 m -106.89 32.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.178 0.513 . . . . 10.0 111.612 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.6 -39.12 86.97 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.535 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -80.63 -8.92 59.78 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.904 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.491 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.5 OUTLIER -71.14 -26.14 62.87 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.726 -0.215 . . . . 10.0 111.414 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -61.22 -46.3 91.0 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t -73.3 -25.78 60.8 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.623 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -68.96 -35.39 76.69 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.354 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 23' ' ' LEU . 51.4 t -71.26 -40.1 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.84 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -69.49 -28.42 66.05 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.791 0.329 . . . . 10.0 111.319 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -77.32 -33.93 55.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.449 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.27 -42.5 72.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.524 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -72.99 -34.89 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.918 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -62.47 -45.46 92.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.384 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' D' ' 37' ' ' LYS . 0.0 OUTLIER -69.06 -47.2 65.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.946 179.542 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.837 ' HG ' ' HE3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -61.94 -23.19 66.21 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 -179.191 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . 0.809 ' HA ' ' HE2' ' B' ' 15' ' ' LYS . . . -50.24 -54.03 24.02 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.48 24.26 5.32 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' D' ' 33' ' ' LYS . 12.9 mmtp -121.68 103.2 40.93 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.609 ' HB3' ' HZ3' ' A' ' 5' ' ' TRP . 14.4 Cg_endo -58.47 -73.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.952 2.435 . . . . 10.0 113.402 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . 0.846 ' HB3' ' HE1' ' A' ' 68' ' ' PHE . 16.2 m -96.38 124.05 40.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.822 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.4 OUTLIER -138.18 106.05 7.96 Favored Pre-proline 0 C--O 1.216 -0.682 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -178.131 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.753 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 38.2 Cg_endo -69.48 -48.3 0.81 Allowed 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 122.646 2.231 . . . . 10.0 111.698 177.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.72 -47.59 15.05 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.197 -0.911 . . . . 10.0 112.45 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 2.4 mm? -65.21 -23.78 67.17 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.822 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -82.44 -42.53 18.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 10.0 110.844 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.87 -32.63 67.65 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.999 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.35 -36.78 71.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.857 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.72 -34.22 71.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.016 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.75 -40.88 96.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.527 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 88.8 p -76.77 -38.76 53.52 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 68.4 mmtt -68.83 -36.99 78.86 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.41 -30.13 59.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.16 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 93.4 p -74.49 -30.11 61.7 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.94 0.4 . . . . 10.0 109.946 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.95 -36.64 75.44 Favored 'General case' 0 C--O 1.23 0.079 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -67.04 -35.79 80.65 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.209 -0.905 . . . . 10.0 110.422 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -62.35 -52.18 64.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.5 -0.773 . . . . 10.0 112.003 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.3 mm? -70.76 -27.18 63.75 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.17 0.804 . . . . 10.0 113.17 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.067 0.46 . . . . 10.0 110.096 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . 0.717 ' HA ' ' HE ' ' D' ' 58' ' ' ARG . 0.4 OUTLIER -82.45 -36.36 26.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.363 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -71.44 -37.48 71.42 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.81 -33.95 62.3 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.679 0.251 . . . . 10.0 111.679 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -73.46 -41.02 63.72 Favored 'General case' 0 C--N 1.334 -0.072 0 CA-C-O 120.72 0.295 . . . . 10.0 111.095 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p -70.15 -25.84 63.65 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.002 0.429 . . . . 10.0 110.494 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -76.28 -42.75 44.42 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.995 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 14.1 p -66.93 -38.17 85.66 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 87.1 t -70.17 -32.82 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.814 0.34 . . . . 10.0 110.548 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.495 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.791 ' HE1' HD23 ' B' ' 23' ' ' LEU . 16.7 t90 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -88.88 128.74 35.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.67 0.271 . . . . 10.0 111.421 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.0 152.71 13.3 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.808 -0.71 . . . . 10.0 112.249 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.46 -37.46 82.96 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.837 0.31 . . . . 10.0 111.837 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.604 HD21 ' CD2' ' A' ' 68' ' ' PHE . 2.6 mm? -74.98 -22.19 58.69 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.395 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.415 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 25.7 t70 -68.8 -36.01 77.71 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.987 0.422 . . . . 10.0 110.05 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.32 -36.35 71.54 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.252 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.403 HG11 HG21 ' A' ' 64' ' ' THR . 59.7 t -70.01 -35.53 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.321 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -68.23 -46.69 69.83 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.811 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.83 63.0 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.058 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' C' ' 35' ' ' ALA . 20.3 tptp -65.95 -42.95 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.551 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' O ' HG22 ' A' ' 20' ' ' VAL . 13.1 m-85 -71.49 -32.91 68.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.2 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.47 -42.3 92.41 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -67.93 -24.18 65.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.113 0.483 . . . . 10.0 109.922 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -37.96 45.01 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.581 -0.736 . . . . 10.0 112.327 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 16' ' ' PHE . 21.1 m -111.7 31.56 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 120.732 0.301 . . . . 10.0 111.766 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.77 -55.42 19.9 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.317 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -81.63 -10.74 59.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.36 0.6 . . . . 10.0 110.245 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 tm? -69.37 -32.18 71.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.57 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -60.03 -46.38 89.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.872 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -71.08 -26.23 62.97 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.501 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -70.66 -30.32 66.9 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.15 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 23' ' ' LEU . 86.2 t -70.64 -43.49 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.279 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 p -73.04 -25.13 60.83 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.537 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.73 -40.99 65.65 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.048 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.42 -24.27 54.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.789 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.7 tp -69.67 -46.64 65.63 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.618 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.74 -31.53 68.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.855 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -69.51 -36.14 76.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.937 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 43' ' ' LEU . 1.4 tm? -76.57 -30.93 57.23 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.185 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -23.95 60.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.987 0.366 . . . . 10.0 111.987 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.96 4.6 53.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.765 0.317 . . . . 10.0 111.591 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -131.41 136.51 28.75 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.763 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.39 -66.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.693 2.262 . . . . 10.0 112.176 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 p -150.2 125.65 10.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 10.0 111.448 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.86 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -133.58 125.4 18.52 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.52 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.63 -36.09 54.98 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.425 2.084 . . . . 10.0 111.974 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.37 -37.23 60.71 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.748 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.86 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 4.0 mm? -72.24 -30.72 65.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.839 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.6 mt -72.69 -34.77 67.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.143 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.98 -35.26 64.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.683 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.68 -41.86 64.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.118 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -69.72 -34.37 73.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.216 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -40.21 79.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.885 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 27.7 t -72.83 -40.99 65.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.284 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -68.41 -33.22 73.85 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.1 tp -73.88 -29.66 62.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.948 0.404 . . . . 10.0 110.422 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.9 m -74.29 -29.79 61.8 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.523 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.969 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 45.2 mt-10 -68.66 -37.09 79.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.047 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -70.35 -32.5 70.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.583 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.48 -38.47 87.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.428 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.518 HD11 HD11 ' C' ' 44' ' ' LEU . 0.7 OUTLIER -70.13 -31.47 69.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.6 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 2.0 t80 -65.75 -41.61 91.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 10.0 110.139 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -77.58 -33.35 53.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 10.0 112.423 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -73.15 -44.76 59.6 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.404 ' HB3' ' HE2' ' A' ' 16' ' ' PHE . . . -72.9 -31.11 64.43 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.851 0.315 . . . . 10.0 111.851 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 49.3 tt0 -67.71 -50.33 58.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.042 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.2 p -70.87 -21.24 62.43 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.689 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.592 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -70.16 -44.77 68.13 Favored 'General case' 0 C--O 1.227 -0.107 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.318 178.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.403 HG21 HG11 ' A' ' 12' ' ' VAL . 5.9 m -63.27 -38.14 89.99 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.08 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 89.2 t -68.13 -40.24 82.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -68.66 -38.5 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 63' ' ' ASN . 20.1 t -67.96 -52.37 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 113.823 1.046 . . . . 10.0 113.823 -178.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.83 ' HE2' ' HB3' ' D' ' 39' ' ' SER . 20.6 t80 -65.72 -35.57 81.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.487 -0.485 . . . . 10.0 112.281 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -62.89 -33.62 75.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.977 0.418 . . . . 10.0 110.486 178.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -71.38 -47.97 52.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.881 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -65.04 -39.07 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.702 ' HA ' HD12 ' A' ' 75' ' ' ILE . 9.6 t70 -70.55 -27.65 64.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.539 -0.301 . . . . 10.0 111.765 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.89 -32.12 70.29 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.789 0.328 . . . . 10.0 110.253 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.39 77.18 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.969 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 72' ' ' ASP . 18.0 mt -63.74 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.73 0.776 . . . . 10.0 109.536 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.521 ' O ' ' HB2' ' A' ' 79' ' ' PHE . 3.7 mt -58.15 -42.98 84.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.664 -1.153 . . . . 10.0 111.307 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.95 -15.11 60.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.787 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -75.52 -21.07 58.29 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' A' ' 76' ' ' ILE . 20.1 m-85 -58.03 118.9 5.9 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.155 -0.929 . . . . 10.0 109.808 177.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.112 -0.947 . . . . 10.0 111.943 -179.54 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.267 -0.333 . . . . 10.0 112.267 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -66.6 -37.64 85.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.612 0.244 . . . . 10.0 111.581 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.23 -22.19 58.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.723 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -69.56 -33.99 73.54 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.423 ' OD2' HD21 ' D' ' 31' ' ' LEU . 16.5 t70 -73.37 -36.15 66.05 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.199 -0.91 . . . . 10.0 110.141 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.508 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 84.8 t -67.82 -32.48 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.338 0.589 . . . . 10.0 109.951 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -71.22 -40.87 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.655 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -28.42 61.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.21 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.517 ' NZ ' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -64.28 -41.72 96.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.812 0.339 . . . . 10.0 111.019 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.669 ' O ' HG22 ' B' ' 20' ' ' VAL . 36.6 m-85 -73.54 -39.02 65.05 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.282 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -57.02 -50.52 72.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.334 1.235 . . . . 10.0 114.334 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.7 m -56.19 -32.88 64.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.39 -43.15 16.6 Favored Glycine 0 CA--C 1.494 -1.236 0 C-N-CA 120.617 -0.801 . . . . 10.0 114.326 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.886 HG12 HD21 ' B' ' 23' ' ' LEU . 17.1 m -87.09 12.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.091 -0.554 . . . . 10.0 111.041 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.619 ' HA ' HE21 ' B' ' 24' ' ' GLN . 26.3 t70 -64.24 -43.14 95.85 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.706 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.408 ' O ' HG22 ' B' ' 25' ' ' THR . 7.3 t-20 -82.87 -27.35 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.886 HD21 HG12 ' B' ' 20' ' ' VAL 0.29 3.8 pp -70.9 -20.39 62.5 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.619 HE21 ' HA ' ' B' ' 21' ' ' ASP . 48.3 mt-30 -57.49 -47.49 81.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.016 0.436 . . . . 10.0 110.038 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.408 HG22 ' O ' ' B' ' 22' ' ' ASN . 15.0 t -73.32 -26.05 60.89 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.579 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -70.04 -29.6 66.67 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.848 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 23' ' ' LEU . 92.6 t -70.58 -45.03 76.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 38.0 p -71.67 -26.4 62.51 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.202 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 25' ' ' THR . 1.1 tm-20 -72.05 -41.25 67.67 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.277 -0.42 . . . . 10.0 109.999 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.16 -24.37 57.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.759 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp -71.32 -45.59 62.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.504 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -70.67 -31.57 68.53 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.999 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -69.49 -34.59 74.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.873 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' B' ' 34' ' ' LEU . 1.0 OUTLIER -76.13 -31.09 58.46 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.673 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.67 -21.31 57.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.556 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.07 4.43 53.92 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.28 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -132.1 146.08 60.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.938 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -66.4 -61.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.595 2.197 . . . . 10.0 111.272 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.7 p -160.97 125.8 3.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.955 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.666 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -132.38 124.86 19.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.527 179.681 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.23 -31.69 74.16 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.37 2.046 . . . . 10.0 111.672 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.67 -41.58 60.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.333 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.4 mm? -72.63 -23.33 60.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.9 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.93 -44.72 65.59 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.308 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.2 -28.94 61.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.966 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.77 -42.44 70.42 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.462 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -72.05 -33.7 68.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.498 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -41.38 79.23 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.823 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 43.4 t -70.2 -39.18 75.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.787 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -71.59 -31.84 67.37 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.815 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.55 -31.78 62.23 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.032 0.444 . . . . 10.0 109.82 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.2 m -73.7 -29.21 62.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.364 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -69.67 -36.91 76.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.069 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -69.49 -32.39 71.24 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -69.72 -29.88 67.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.601 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.47 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -66.02 -35.46 80.61 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.078 179.028 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 9.1 t80 -67.26 -48.46 67.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.702 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.458 ' HD3' HH11 ' B' ' 58' ' ' ARG . 3.0 mmp_? -75.63 -24.23 56.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.391 0.885 . . . . 10.0 113.391 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -78.26 -58.32 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.98 -30.26 70.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.472 0.177 . . . . 10.0 111.301 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.433 ' O ' HG23 ' B' ' 65' ' ' VAL . 50.6 tt0 -67.33 -45.11 77.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.382 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 79.0 p -70.94 -21.16 62.38 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.673 0.273 . . . . 10.0 111.27 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.645 ' O ' HG23 ' B' ' 67' ' ' VAL . 0.4 OUTLIER -75.75 -45.35 36.89 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.418 179.569 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -61.51 -37.5 83.94 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.688 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 61' ' ' GLN . 59.1 t -67.17 -37.63 79.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.848 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -71.46 -33.33 69.24 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 63' ' ' ASN . 23.6 t -66.35 -53.03 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -70.11 -35.17 73.94 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.57 0.582 . . . . 10.0 112.57 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.446 ' NZ ' ' HA ' ' B' ' 69' ' ' LYS . 3.0 mmpm? -65.13 -34.65 78.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.708 0.29 . . . . 10.0 111.543 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -71.39 -46.14 61.06 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.185 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.438 ' O ' HG13 ' B' ' 75' ' ' ILE . 1.2 pt -71.43 -29.2 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.857 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . 0.574 ' HA ' HD12 ' B' ' 75' ' ' ILE . 32.8 t70 -72.28 -32.88 67.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.36 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.88 -32.51 73.06 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.026 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.85 87.35 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.745 -0.662 . . . . 10.0 110.811 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' B' ' 72' ' ' ASP . 10.8 mt -65.84 -43.08 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.786 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.489 ' HA ' ' HD2' ' B' ' 79' ' ' PHE . 76.0 mt -61.35 -35.57 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.016 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -77.77 -16.35 58.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.181 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -80.25 -22.51 41.64 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.56 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.489 ' HD2' ' HA ' ' B' ' 76' ' ' ILE . 30.7 m-85 . . . . . 0 C--O 1.232 0.176 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.742 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . 0.432 ' CE3' ' HB2' ' C' ' 10' ' ' ASP . 8.0 t90 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.815 0.34 . . . . 10.0 110.775 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -102.56 126.59 49.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.509 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.58 158.53 21.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.539 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.04 -33.82 76.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.949 0.404 . . . . 10.0 111.376 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.591 ' H ' HD12 ' C' ' 9' ' ' LEU . 3.5 mp -74.23 -23.14 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.094 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.432 ' HB2' ' CE3' ' C' ' 5' ' ' TRP . 20.8 t70 -71.69 -34.59 69.78 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.399 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -73.05 -37.44 66.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.783 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.519 HG11 HG21 ' C' ' 64' ' ' THR . 59.4 t -69.19 -35.97 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.698 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -67.4 -46.57 72.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.683 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -25.57 63.8 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.421 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -65.56 -39.48 91.74 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 10.0 110.707 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.515 ' O ' HG22 ' C' ' 20' ' ' VAL . 18.5 m-30 -75.5 -33.39 60.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.069 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -65.16 -39.54 93.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.933 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 16.3 m -70.43 -29.47 66.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.928 0.394 . . . . 10.0 110.767 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.48 -34.33 60.43 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.016 -0.611 . . . . 10.0 112.276 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.515 HG22 ' O ' ' C' ' 16' ' ' PHE . 29.2 m -110.15 30.34 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.768 0.318 . . . . 10.0 111.484 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.11 -55.9 18.68 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.413 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -83.86 -9.11 58.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.224 0.535 . . . . 10.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.462 ' O ' HG23 ' C' ' 27' ' ' VAL . 2.9 tm? -69.22 -33.87 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.034 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -59.25 -45.58 90.79 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.13 -0.486 . . . . 10.0 112.089 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -71.67 -26.01 62.35 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.599 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.46 -28.5 63.99 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.773 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.462 HG23 ' O ' ' C' ' 23' ' ' LEU . 92.5 t -70.15 -46.4 72.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.065 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.115 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 38.3 p -71.13 -25.81 62.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.487 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.79 -44.14 67.23 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.324 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.77 -24.07 52.91 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.965 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 tp -71.2 -42.96 68.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.505 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -31.39 68.14 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.62 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 25.6 mttp -71.71 -35.91 70.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.289 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -73.44 -52.03 15.12 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . . . -64.79 -21.12 66.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.87 21.02 15.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.307 0.575 . . . . 10.0 111.066 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 14.9 tptt -141.88 124.64 9.42 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.89 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.969 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 59.6 Cg_exo -42.72 -72.66 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.86 3.04 . . . . 10.0 114.241 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -154.54 125.73 7.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.963 0.411 . . . . 10.0 111.844 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.849 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 3.9 m-20 -136.71 119.04 11.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.88 -32.41 66.4 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.185 1.923 . . . . 10.0 112.0 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.6 -35.12 60.62 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.546 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.849 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.2 mm? -72.71 -29.73 63.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.738 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 56' ' ' LEU . 36.5 mt -72.52 -36.7 68.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.167 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.27 -32.75 63.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.73 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.99 -45.24 59.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.276 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -67.58 -34.64 77.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.469 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -40.1 84.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.055 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.6 t -74.76 -39.17 61.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.507 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 33.4 mmtm -66.65 -40.66 88.77 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tp -72.23 -29.79 64.28 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.976 -0.289 . . . . 10.0 111.451 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 66.3 m -73.37 -29.5 62.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.717 0.294 . . . . 10.0 110.317 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.16 -37.16 86.46 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -71.57 -31.49 67.03 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.343 -0.844 . . . . 10.0 109.063 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -63.81 -44.36 93.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.864 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.0 OUTLIER -70.77 -28.09 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . 0.497 ' HD1' ' HB3' ' C' ' 16' ' ' PHE . 0.2 OUTLIER -65.38 -40.37 93.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.994 0.426 . . . . 10.0 109.897 178.441 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.498 ' NH2' ' HB3' ' C' ' 61' ' ' GLN . 2.3 mmp_? -78.76 -35.77 44.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.625 -0.716 . . . . 10.0 112.351 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -69.04 -36.38 77.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.143 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.36 -31.62 54.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.36 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.498 ' HB3' ' NH2' ' C' ' 58' ' ' ARG . 35.7 tt0 -69.69 -45.8 67.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 29.0 m -69.02 -28.11 66.27 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.161 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . 0.433 ' O ' HG23 ' C' ' 67' ' ' VAL . 0.3 OUTLIER -68.25 -46.67 69.83 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.964 179.542 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . 0.519 HG21 HG11 ' C' ' 12' ' ' VAL . 28.8 m -62.43 -38.29 89.15 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.833 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 93.3 t -64.63 -46.89 91.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.26 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -68.81 -32.46 72.19 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . 0.433 HG23 ' O ' ' C' ' 63' ' ' ASN . 53.9 t -69.6 -55.1 16.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -66.63 -32.39 73.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 0.5 OUTLIER -69.57 -34.46 74.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.644 0.259 . . . . 10.0 111.48 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.89 -49.44 61.94 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.375 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 pt -69.46 -33.17 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -72.31 -29.11 63.53 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.789 0.328 . . . . 10.0 110.953 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.21 66.15 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.161 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.57 -34.21 65.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.657 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -66.77 -47.56 82.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pt -68.54 -22.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.997 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -80.67 -18.74 47.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 10.0 110.31 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 177.709 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 38.6 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.695 0.283 . . . . 10.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.99 -27.88 66.1 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.331 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -66.8 -37.15 83.97 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.559 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.484 ' O ' HG22 ' D' ' 20' ' ' VAL . 13.2 m-85 -74.92 -36.42 62.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.943 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.15 -39.88 93.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.75 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 25.5 m -70.34 -30.14 67.01 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.993 0.425 . . . . 10.0 110.75 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.55 -32.93 64.16 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.411 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.484 HG22 ' O ' ' D' ' 16' ' ' PHE . 27.2 m -111.49 28.83 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.919 0.39 . . . . 10.0 111.172 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.1 -53.41 55.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.344 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.61 -9.71 59.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.664 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.436 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.9 OUTLIER -71.01 -29.67 65.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.643 179.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -62.78 -44.47 96.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.683 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -73.67 -26.03 60.54 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.655 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.52 -31.32 66.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.149 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.436 HG23 ' O ' ' D' ' 23' ' ' LEU . 82.3 t -72.2 -42.19 66.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.433 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 41.3 p -72.59 -24.73 61.13 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.38 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -72.85 -41.74 64.48 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.104 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.42 -24.31 57.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.499 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.423 HD21 ' OD2' ' B' ' 11' ' ' ASP . 4.1 tt -65.77 -51.81 56.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.33 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.1 -31.69 68.11 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.792 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -65.67 -40.34 92.3 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.016 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 52.0 tp -77.73 -24.41 49.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.656 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . 0.517 ' HA ' ' NZ ' ' B' ' 15' ' ' LYS . . . -55.21 -44.38 75.3 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.386 0.513 . . . . 10.0 112.386 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.341 . . -98.6 25.86 6.08 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 114.776 1.399 . . . . 10.0 114.776 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -148.86 99.73 3.5 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.735 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.09 -73.51 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.56 0 C-N-CA 124.163 3.242 . . . . 10.0 113.893 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . 0.83 ' HB3' ' HE2' ' A' ' 68' ' ' PHE . 51.1 m -92.25 124.12 36.09 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.614 ' HB3' ' HB2' ' D' ' 43' ' ' LEU . 7.0 m-20 -138.4 115.32 9.08 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 114.352 1.241 . . . . 10.0 114.352 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.56 -48.24 0.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.63 2.22 . . . . 10.0 111.311 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.47 -42.55 22.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.227 -1.351 . . . . 10.0 113.55 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.614 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.1 mm? -67.66 -38.72 84.17 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.0 OUTLIER -69.08 -30.87 69.27 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.923 0.392 . . . . 10.0 110.3 178.484 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.12 -50.93 68.54 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.902 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.74 -38.2 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.259 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -65.43 -33.91 77.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.256 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -69.25 -44.85 71.11 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.823 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.0 m -72.15 -39.99 68.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 10.0 112.204 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -70.6 -26.75 63.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.587 0.588 . . . . 10.0 112.587 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mt -73.27 -35.37 66.16 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . 0.514 ' O ' ' HB3' ' D' ' 55' ' ' ASN . 50.0 m -74.37 -28.31 61.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.474 -0.784 . . . . 10.0 110.572 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -66.19 -37.6 85.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.753 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -74.54 -29.08 61.24 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . 0.784 HD22 HD22 ' D' ' 56' ' ' LEU . 2.2 t30 -60.4 -46.46 89.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.866 -1.061 . . . . 10.0 110.665 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.784 HD22 HD22 ' D' ' 55' ' ' ASN . 3.0 mm? -74.58 -28.26 60.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.688 0.996 . . . . 10.0 113.688 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' D' ' 61' ' ' GLN . 14.6 t80 -60.96 -40.36 93.07 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -83.41 -33.92 25.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.663 -0.699 . . . . 10.0 112.607 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -70.18 -53.38 17.37 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.28 83.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' D' ' 57' ' ' TYR . 55.3 tt0 -62.8 -48.55 78.62 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.676 0.274 . . . . 10.0 111.453 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -69.99 -23.73 63.2 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.233 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.44 -41.32 66.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.649 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 5.8 m -64.93 -38.34 90.65 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.738 0.304 . . . . 10.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.57 -32.39 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.099 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 tptp . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.677 179.833 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 84.8 t90 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.769 0.318 . . . . 10.0 111.106 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -141.73 144.89 34.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.89 0.376 . . . . 10.0 111.331 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.8 162.05 26.67 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.444 -0.662 . . . . 10.0 111.444 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -66.92 -32.42 73.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.424 0.631 . . . . 10.0 109.59 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.5 tp -74.99 -34.63 61.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.806 -1.088 . . . . 10.0 110.418 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.58 -27.87 63.43 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.104 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.54 -36.5 71.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.496 -0.774 . . . . 10.0 110.37 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.731 HG11 HG21 ' A' ' 64' ' ' THR . 81.6 t -68.01 -36.42 75.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.412 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.2 m -70.3 -36.37 74.3 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.231 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.09 57.27 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.077 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -65.56 -49.35 69.19 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.566 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.536 ' O ' HG22 ' A' ' 20' ' ' VAL . 20.5 m-85 -71.9 -27.38 62.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.474 -0.784 . . . . 10.0 110.909 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.55 -51.27 63.7 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.687 0.625 . . . . 10.0 112.687 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -70.47 -23.85 62.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.078 0.466 . . . . 10.0 109.878 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.2 -44.62 65.22 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.825 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 28.8 m -111.45 31.56 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.74 -56.23 24.48 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -84.96 -9.3 58.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.894 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.537 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.2 tm? -71.09 -41.57 70.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.63 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 30.4 mm-40 -61.56 -41.43 97.36 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.762 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 m -66.96 -30.48 70.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.874 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -73.69 -25.01 60.03 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.367 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 23' ' ' LEU . 50.9 t -69.26 -47.35 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.904 0.383 . . . . 10.0 110.32 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.5 p -69.3 -34.29 74.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.341 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -68.0 -40.69 82.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.392 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.44 -24.3 61.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.278 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 tp -72.9 -38.95 66.74 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.912 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.02 -34.26 73.06 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.874 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -71.35 -35.31 71.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.649 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -71.19 -31.93 68.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.905 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.64 61.36 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.36 3.38 51.1 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.768 0.284 . . . . 10.0 111.768 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 43.2 mmtm -123.13 134.35 25.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.274 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 24.0 Cg_exo -65.61 -67.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.905 2.403 . . . . 10.0 112.13 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 p -137.24 124.88 22.28 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.883 0.373 . . . . 10.0 111.456 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' HB2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -137.91 113.26 9.06 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.782 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.59 -31.7 59.62 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.561 2.174 . . . . 10.0 112.505 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 -48.17 19.6 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.445 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . 3.7 mm? -71.81 -25.77 62.13 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.64 0.607 . . . . 10.0 112.64 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 tp -71.1 -41.01 71.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.858 0.361 . . . . 10.0 110.435 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -31.59 62.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.877 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.05 -46.64 61.65 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.152 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -67.59 -33.86 75.87 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.194 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -65.67 -44.66 85.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.185 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 44.5 t -71.72 -41.49 68.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.657 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 36.6 mmtm -70.04 -28.24 65.31 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 tp -75.22 -31.21 60.81 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.001 0.429 . . . . 10.0 109.963 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.2 m -73.26 -35.39 66.19 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.017 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.469 ' CD ' ' HB3' ' C' ' 38' ' ' PRO . 44.5 mt-10 -67.52 -36.88 81.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.003 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.431 ' HD1' HE22 ' A' ' 24' ' ' GLN . 42.5 t80 -63.78 -38.06 89.68 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.713 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -63.89 -40.71 97.15 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.213 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.4 mm? -65.72 -30.72 71.43 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.788 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -50.85 64.94 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.632 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -76.91 -28.54 55.35 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.464 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -72.3 -43.3 64.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.806 -0.179 . . . . 10.0 111.253 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.55 79.21 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 120.741 0.305 . . . . 10.0 110.645 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -72.68 -40.34 66.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.451 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.5 p -71.06 -27.52 63.7 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.518 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -75.31 -31.76 60.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.854 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.731 HG21 HG11 ' A' ' 12' ' ' VAL . 3.7 m -69.56 -49.37 54.91 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.323 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.22 -35.35 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.913 0.338 . . . . 10.0 111.913 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -71.07 -48.32 53.25 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.915 0.709 . . . . 10.0 112.915 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 71' ' ' ILE . 11.2 t -77.85 -42.37 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.646 ' CZ ' ' HD3' ' D' ' 41' ' ' PRO . 76.1 t80 -59.54 -34.23 72.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.353 . . . . 10.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 69' ' ' LYS . 2.4 tppt? -73.86 -34.43 64.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.57 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -59.16 -34.76 72.48 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.733 0.301 . . . . 10.0 111.163 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.557 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.4 mt -70.69 -49.01 54.62 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.841 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.573 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 2.2 t70 -57.04 -35.87 69.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.807 -1.088 . . . . 10.0 112.263 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.48 -21.63 41.8 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -49.52 26.54 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.694 0.283 . . . . 10.0 111.71 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 71' ' ' ILE . 3.3 mt -67.85 -35.94 74.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 121.699 0.761 . . . . 10.0 109.389 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.738 ' HA ' ' HD2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -61.42 -34.35 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 114.497 -1.228 . . . . 10.0 111.835 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -83.89 -15.07 49.42 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.212 0.53 . . . . 10.0 110.028 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -84.3 -8.66 58.95 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.411 -0.813 . . . . 10.0 109.529 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.738 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 1.7 m-85 -55.24 -84.54 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.944 -1.026 . . . . 10.0 109.552 177.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.218 -0.896 . . . . 10.0 111.156 179.295 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.327 -0.309 . . . . 10.0 112.327 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -67.39 -43.66 80.82 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.885 0.328 . . . . 10.0 111.885 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.462 ' O ' HG12 ' B' ' 12' ' ' VAL . 0.9 OUTLIER -74.98 -28.08 60.41 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.835 0.35 . . . . 10.0 110.839 179.207 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -72.86 -32.82 65.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.701 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 32.4 t70 -70.14 -44.03 69.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.441 -0.799 . . . . 10.0 110.698 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.529 HG23 HD11 ' D' ' 31' ' ' LEU . 2.8 p -61.58 -33.33 56.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.819 0.342 . . . . 10.0 111.784 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -69.49 -31.68 70.11 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.87 -25.68 56.38 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.362 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' B' ' 12' ' ' VAL . 13.1 mmmt -67.77 -45.29 75.3 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.651 -0.499 . . . . 10.0 109.651 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.403 ' HE1' ' CD2' ' D' ' 34' ' ' LEU . 24.8 m-85 -70.66 -28.98 65.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.888 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.58 -53.8 25.23 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 114.406 1.262 . . . . 10.0 114.406 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -71.06 -26.24 62.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.078 0.466 . . . . 10.0 111.212 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.98 -38.13 36.47 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.796 -0.638 . . . . 10.0 113.802 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.795 HG13 HD23 ' B' ' 23' ' ' LEU . 2.5 t -109.86 30.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.319 0.581 . . . . 10.0 110.401 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.48 -51.44 29.06 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.385 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -78.91 -22.09 46.37 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.144 0.424 . . . . 10.0 112.144 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.795 HD23 HG13 ' B' ' 20' ' ' VAL . 17.9 tp -69.2 -33.7 73.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.565 -0.288 . . . . 10.0 111.206 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' B' ' 20' ' ' VAL . 30.7 mm-40 -62.02 -40.43 95.68 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.908 0.385 . . . . 10.0 111.336 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.4 m -70.25 -29.41 66.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.392 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.74 -25.5 62.95 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.062 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 23' ' ' LEU . 48.7 t -70.46 -48.47 59.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.216 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 30.8 p -67.26 -32.71 73.9 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.164 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -70.97 -39.04 72.77 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.1 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.35 60.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.174 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 tp -71.52 -39.6 70.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.553 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -70.43 -35.0 73.11 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.686 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -71.41 -30.03 65.6 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.839 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.58 -36.99 71.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.323 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.88 -17.4 59.8 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.817 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.98 2.49 53.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.761 0.315 . . . . 10.0 111.537 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -128.51 142.09 43.65 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.85 -58.23 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.752 2.301 . . . . 10.0 111.557 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 39.5 p -151.19 125.98 9.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.932 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.448 ' CG ' ' HB2' ' B' ' 43' ' ' LEU . 1.2 p30 -136.56 112.93 10.03 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 112.111 0.411 . . . . 10.0 112.111 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.95 -29.32 66.83 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.684 2.256 . . . . 10.0 112.318 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.61 -49.6 15.87 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' CG ' ' B' ' 40' ' ' ASP . 4.0 mm? -72.35 -21.86 61.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 tp -72.76 -42.55 63.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.928 0.394 . . . . 10.0 110.258 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.03 63.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.632 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.76 60.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.914 -0.584 . . . . 10.0 111.105 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -67.24 -33.41 75.28 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.756 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.78 -41.09 96.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.907 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 40.2 t -76.3 -39.63 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.672 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.549 ' HD2' ' CD1' ' B' ' 23' ' ' LEU . 41.0 mmtm -72.5 -34.73 67.84 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 113.035 0.754 . . . . 10.0 113.035 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 52.4 tp -71.84 -33.86 68.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.281 0.562 . . . . 10.0 109.567 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.1 m -72.51 -29.53 63.69 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.241 -0.891 . . . . 10.0 110.66 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' B' ' 49' ' ' SER . 40.9 mt-10 -72.02 -35.96 69.55 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.106 178.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -62.76 -36.57 83.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.487 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.73 -35.34 80.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.865 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -28.29 67.4 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.602 -0.727 . . . . 10.0 111.303 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' B' ' 58' ' ' ARG . 0.2 OUTLIER -71.95 -49.51 36.83 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.627 -0.26 . . . . 10.0 111.526 179.704 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.4 ' HG2' ' CE2' ' B' ' 57' ' ' TYR . 0.5 OUTLIER -74.02 -16.84 61.04 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.336 0.495 . . . . 10.0 112.336 -179.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -79.14 -58.58 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.274 0.842 . . . . 10.0 113.274 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.38 -33.65 74.03 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.424 0.154 . . . . 10.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.403 ' O ' HG23 ' B' ' 65' ' ' VAL . 32.8 tt0 -67.13 -43.37 82.58 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-O 120.853 0.358 . . . . 10.0 110.369 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -71.25 -31.68 67.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.836 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.443 ' O ' HG23 ' B' ' 67' ' ' VAL . 84.1 m-20 -72.23 -39.58 68.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.772 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 7.6 p -68.63 -38.77 80.78 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.685 0.254 . . . . 10.0 111.685 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 61' ' ' GLN . 65.5 t -62.84 -35.21 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.051 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.97 -49.09 26.11 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.578 ' O ' HG13 ' B' ' 71' ' ' ILE . 15.0 t -68.32 -46.45 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . 0.646 ' HA ' HD12 ' B' ' 71' ' ' ILE . 83.0 t80 -61.63 -32.52 72.66 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -69.79 -34.93 74.4 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.748 -0.205 . . . . 10.0 111.521 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.61 -26.48 64.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.475 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' B' ' 68' ' ' PHE . 46.3 mt -70.17 -50.62 45.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.45 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.53 -33.59 76.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.755 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.72 62.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.318 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.92 75.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.947 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 10.1 mt -66.27 -41.68 89.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.792 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.637 ' HA ' ' HD2' ' B' ' 79' ' ' PHE . 94.2 mt -61.88 -35.92 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.237 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -78.37 -20.89 50.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.313 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -87.7 -7.35 57.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.142 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . 0.637 ' HD2' ' HA ' ' B' ' 76' ' ' ILE . 2.2 m-85 . . . . . 0 C--O 1.232 0.173 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.352 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 48.5 t90 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.967 0.413 . . . . 10.0 111.475 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -153.73 119.66 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.772 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.6 -173.18 14.15 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.807 -0.711 . . . . 10.0 112.672 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . 0.418 ' O ' HG23 ' C' ' 12' ' ' VAL . 85.0 m-85 -66.82 -40.46 88.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.826 0.346 . . . . 10.0 111.395 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 37.3 tp -70.8 -35.99 72.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.195 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.92 -29.2 69.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.576 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.05 -36.25 66.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.936 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.798 HG11 HG21 ' C' ' 64' ' ' THR . 46.7 t -69.93 -37.44 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.878 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -68.73 -38.7 80.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.495 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.78 -23.11 58.46 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.959 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -43.4 87.14 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.437 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.505 ' O ' HG22 ' C' ' 20' ' ' VAL . 30.1 m-85 -76.9 -28.43 55.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.628 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.5 -45.64 89.76 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.01 -0.541 . . . . 10.0 112.061 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -72.38 -27.05 62.14 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.794 0.33 . . . . 10.0 111.287 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.9 -41.5 72.3 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.516 ' O ' ' HG2' ' C' ' 24' ' ' GLN . 27.5 m -108.8 31.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.31 -55.03 40.04 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.119 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -91.89 -7.03 50.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.887 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.533 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.3 tm? -71.04 -40.76 71.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.114 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' C' ' 20' ' ' VAL . 33.2 mm-40 -61.95 -39.63 92.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.169 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 4.7 m -68.56 -31.6 70.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -73.83 -25.66 60.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.309 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.533 HG23 ' O ' ' C' ' 23' ' ' LEU . 92.9 t -67.39 -48.15 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 120.848 0.356 . . . . 10.0 110.212 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 24.0 p -69.08 -32.92 72.72 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.395 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -68.74 -43.77 75.18 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.647 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.75 -24.3 61.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.894 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 51.5 tp -72.53 -40.37 66.82 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.893 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.45 -30.66 68.62 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.591 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 64.1 mttp -71.38 -45.11 63.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.329 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -70.01 -29.07 66.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.798 0.333 . . . . 10.0 111.016 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.09 -36.89 83.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 10.0 112.135 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.49 25.18 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 1.1 mptp? -125.24 120.96 25.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.335 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.469 ' HB3' ' CD ' ' A' ' 53' ' ' GLU . 95.1 Cg_exo -48.67 -71.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.653 2.902 . . . . 10.0 113.51 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 77.4 p -148.07 124.81 11.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.03 0.443 . . . . 10.0 112.029 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.426 ' HA ' ' HD2' ' C' ' 41' ' ' PRO . 0.5 OUTLIER -137.64 111.7 8.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.794 179.548 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 29.5 Cg_endo -64.28 -28.71 63.84 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.519 2.146 . . . . 10.0 112.541 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.88 -47.96 19.7 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.068 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.71 -24.48 61.0 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -69.52 -41.9 75.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.789 0.328 . . . . 10.0 110.431 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.07 -29.55 61.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.674 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.74 57.56 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.272 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -67.36 -34.0 76.4 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.276 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.56 -42.06 87.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.953 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -74.45 -38.86 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.859 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 37.4 mmtm -74.11 -26.51 60.38 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.05 -35.86 61.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.806 0.336 . . . . 10.0 110.571 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 12.1 p -74.51 -30.09 61.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.301 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.5 -36.49 84.37 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . 0.492 ' HD1' HE22 ' C' ' 24' ' ' GLN . 47.0 t80 -67.8 -37.49 82.06 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.449 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.17 -48.26 82.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.287 -0.87 . . . . 10.0 111.297 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.3 mm? -67.75 -27.76 67.06 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -53.08 61.88 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.628 0.251 . . . . 10.0 111.502 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.648 ' CZ ' ' HB1' ' D' ' 45' ' ' ALA . 0.0 OUTLIER -86.53 -15.56 39.63 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.737 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -78.27 -34.1 49.14 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.99 58.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.266 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.473 HE21 ' HD2' ' C' ' 16' ' ' PHE . 14.9 tt0 -71.97 -35.62 69.59 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.637 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 77.7 p -71.26 -28.65 64.31 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.04 0.448 . . . . 10.0 110.588 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -77.45 -33.22 54.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.648 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . 0.798 HG21 HG11 ' C' ' 12' ' ' VAL . 82.0 m -69.98 -43.78 70.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.628 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.91 -33.99 65.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.196 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -75.31 -45.94 36.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.54 -49.72 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.3 -37.95 76.07 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.865 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 10.7 mmpt? -72.19 -34.31 68.32 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -61.65 -35.71 78.72 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.816 0.341 . . . . 10.0 110.589 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 45.9 mt -73.32 -41.73 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.233 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -66.48 -34.78 78.7 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.476 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.26 -21.52 46.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.382 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.62 -43.74 46.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.742 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 52.6 mt -73.59 -41.52 55.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 tp -62.64 -30.73 49.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.384 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -85.05 -20.85 29.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.385 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 N--CA 1.463 0.215 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.583 178.842 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.726 0.298 . . . . 10.0 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.64 58.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.112 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -67.04 -44.88 79.08 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.587 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.533 ' O ' HG22 ' D' ' 20' ' ' VAL . 30.9 m-85 -77.93 -30.06 50.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.319 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.9 -50.76 65.27 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.876 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.6 m -73.18 -24.03 60.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.069 0.462 . . . . 10.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.31 -41.94 76.71 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.82 -0.627 . . . . 10.0 113.137 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.533 HG22 ' O ' ' D' ' 16' ' ' PHE . 34.3 m -111.24 32.4 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.965 0.412 . . . . 10.0 111.242 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.3 -50.74 72.56 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.802 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -88.35 -9.76 51.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.421 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.458 HD13 HG12 ' D' ' 20' ' ' VAL . 1.5 tt -71.47 -40.41 70.29 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.203 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . 0.432 HE22 ' HD1' ' D' ' 54' ' ' TYR . 24.6 mm-40 -61.86 -37.09 83.21 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.028 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -71.35 -29.31 64.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.669 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -75.82 -26.34 57.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.514 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.455 HG23 ' O ' ' D' ' 23' ' ' LEU . 88.5 t -70.76 -43.32 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.784 0.326 . . . . 10.0 110.512 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -71.97 -32.51 67.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.185 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -71.56 -37.07 71.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.477 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.24 -28.24 63.03 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.221 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.529 HD11 HG23 ' B' ' 12' ' ' VAL . 20.4 tp -73.32 -37.48 66.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.08 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -70.69 -32.24 69.41 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.261 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -70.83 -40.62 72.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.054 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' D' ' 37' ' ' LYS . 5.4 tt -72.13 -23.94 61.39 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.99 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.98 -52.56 14.4 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.92 17.18 24.64 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' D' ' 37' ' ' LYS . 39.5 mmtm -116.03 106.28 49.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.794 -1.187 . . . . 10.0 107.794 177.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -65.35 -77.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.766 2.311 . . . . 10.0 113.647 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -97.2 122.02 39.75 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.765 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.0 OUTLIER -140.29 115.98 7.79 Favored Pre-proline 0 C--O 1.219 -0.518 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -178.247 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 37.1 Cg_endo -68.3 -45.29 2.8 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.892 2.395 . . . . 10.0 111.68 177.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.75 -55.92 4.93 Favored 'General case' 0 C--O 1.227 -0.082 0 CA-C-N 115.178 -0.919 . . . . 10.0 113.058 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.445 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 2.7 mm? -60.29 -33.12 71.9 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.88 1.067 . . . . 10.0 113.88 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.765 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -73.74 -37.21 65.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 10.0 110.792 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . 0.648 ' HB1' ' CZ ' ' C' ' 58' ' ' ARG . . . -74.75 -37.77 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.802 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.95 -45.26 82.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.533 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 42.0 t80 -67.75 -33.21 74.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.097 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . 0.523 HE21 HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -63.93 -47.97 78.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.547 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -72.23 -41.4 66.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 10.0 112.33 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . 0.435 ' HA ' ' HG2' ' D' ' 53' ' ' GLU . 29.9 mmtm -70.9 -25.7 62.9 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 13.4 tp -75.12 -39.23 60.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.688 0.28 . . . . 10.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' D' ' 55' ' ' ASN . 12.9 p -74.65 -34.31 62.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' D' ' 50' ' ' LYS . 8.1 pt-20 -70.24 -34.75 73.24 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.706 -0.398 . . . . 10.0 110.311 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . 0.432 ' HD1' HE22 ' D' ' 24' ' ' GLN . 19.3 t80 -60.78 -34.08 73.95 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' D' ' 52' ' ' SER . 11.4 t30 -61.78 -45.74 92.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.917 -1.038 . . . . 10.0 111.695 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' D' ' 56' ' ' LEU . 0.5 OUTLIER -68.79 -26.98 65.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . 0.514 ' HD1' ' HB3' ' D' ' 16' ' ' PHE . 3.7 t80 -58.28 -46.22 86.47 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.17 -27.91 25.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.769 -0.651 . . . . 10.0 112.654 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' D' ' 56' ' ' LEU . 6.7 m-20 -73.21 -49.58 27.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.625 0.25 . . . . 10.0 111.438 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.72 -34.05 76.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.197 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . 0.419 ' O ' HG23 ' D' ' 65' ' ' VAL . 33.8 tt0 -69.08 -41.22 77.83 Favored 'General case' 0 CA--C 1.527 0.087 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.578 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 92.6 p -71.7 -30.62 65.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.995 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.14 -40.24 78.37 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.42 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 2.4 p -67.66 -37.51 82.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.629 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . 0.419 HG23 ' O ' ' D' ' 61' ' ' GLN . 77.2 t -63.59 -36.66 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.022 0.439 . . . . 10.0 110.119 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.4 tptp . . . . . 0 CA--C 1.531 0.212 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.709 -179.906 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 86.4 t90 . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 110.017 -0.364 . . . . 10.0 110.017 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -148.33 153.08 38.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.044 0.45 . . . . 10.0 111.916 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 -179.32 40.58 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.592 -0.731 . . . . 10.0 111.522 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.419 ' O ' HG23 ' A' ' 12' ' ' VAL . 86.6 m-85 -67.31 -31.29 71.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.891 0.346 . . . . 10.0 110.478 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.68 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -70.61 -31.97 69.14 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.949 179.033 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.411 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 34.1 t70 -72.61 -29.41 63.46 Favored 'General case' 0 C--O 1.23 0.047 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.659 178.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 32.9 t70 -74.54 -35.99 63.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.207 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 8' ' ' TYR . 71.2 t -70.12 -40.87 78.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.706 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 p -69.48 -38.1 77.53 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.8 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.74 -23.33 56.03 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.222 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 1.3 tpmt? -64.17 -49.77 70.77 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.598 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' O ' HG22 ' A' ' 20' ' ' VAL . 39.0 m-85 -73.65 -28.35 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.593 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.0 -45.22 89.95 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 112.721 0.638 . . . . 10.0 112.721 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -75.12 -27.26 59.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.715 0.293 . . . . 10.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.73 -36.65 83.08 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.179 -0.534 . . . . 10.0 111.96 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 16' ' ' PHE . 33.3 m -118.44 33.33 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.64 -56.71 16.82 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -81.44 -5.28 57.75 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.348 0.594 . . . . 10.0 110.558 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.52 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.1 tm? -70.17 -38.19 75.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.069 -0.968 . . . . 10.0 111.018 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -62.25 -35.73 79.86 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.754 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -69.78 -34.59 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.591 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.48 -35.48 77.6 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.845 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 23' ' ' LEU . 40.7 t -63.82 -45.33 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.761 0.315 . . . . 10.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 p -71.73 -32.26 67.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.952 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -68.01 -42.82 80.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.83 0.348 . . . . 10.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.8 -24.51 61.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.553 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.19 -41.57 73.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.114 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -70.97 -31.27 67.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.753 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 2.3 mptm? -68.02 -35.52 78.41 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.925 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -25.94 60.44 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.943 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.16 -27.87 66.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.3 4.46 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.956 0.354 . . . . 10.0 111.956 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 13.3 mptt -115.05 125.16 29.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.676 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 17.3 Cg_exo -68.09 -66.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.725 2.284 . . . . 10.0 111.5 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.1 m -126.91 124.34 39.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.634 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.678 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -137.44 95.67 11.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.532 . . . . 10.0 111.252 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 31.9 Cg_endo -64.07 -37.71 41.09 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.739 2.293 . . . . 10.0 112.68 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.69 -42.22 51.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.919 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.678 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.8 mm? -72.48 -28.21 62.76 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.99 -33.8 63.96 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.669 0.271 . . . . 10.0 111.066 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.73 -37.29 70.61 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.369 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.92 67.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.17 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -69.74 -36.44 75.84 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.884 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -65.06 -43.25 92.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.477 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.575 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 42.7 t -71.4 -40.19 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.333 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 23' ' ' LEU . 40.3 mmtm -75.46 -22.84 56.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.6 tp -73.81 -42.33 61.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.931 0.396 . . . . 10.0 110.362 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -69.21 -29.1 66.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.693 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.843 ' HG2' ' HA ' ' C' ' 38' ' ' PRO . 54.2 mt-10 -65.95 -38.47 88.71 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.247 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -67.02 -36.49 82.23 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.649 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -66.1 -45.37 81.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.284 -0.871 . . . . 10.0 110.343 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.02 -28.06 67.08 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.561 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -67.92 -49.17 63.45 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.267 -0.272 . . . . 10.0 110.267 178.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.625 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -74.72 -36.68 62.67 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -179.439 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 86.7 m-20 -70.51 -45.0 66.45 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.505 0.557 . . . . 10.0 112.505 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.53 64.64 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.83 0.307 . . . . 10.0 111.83 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 48.7 tt0 -68.58 -49.51 58.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.9 p -71.18 -23.97 62.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.97 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 2.5 t-20 -71.65 -45.27 62.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.302 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -70.03 -38.82 75.97 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.48 -46.43 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.743 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.527 ' HG2' ' NE2' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -64.13 -42.74 96.7 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -178.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.598 ' CG1' HD21 ' C' ' 55' ' ' ASN . 19.5 t -73.14 -46.78 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 114.606 1.336 . . . . 10.0 114.606 -178.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.68 ' CZ ' ' HB3' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -59.63 -22.76 62.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.423 -0.511 . . . . 10.0 110.391 179.406 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -73.05 -39.02 66.26 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.476 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -67.09 -34.53 77.84 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.951 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 68' ' ' PHE . 12.2 mt -65.01 -45.03 95.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 108.139 -1.059 . . . . 10.0 108.139 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -62.09 -37.06 83.61 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.773 -1.558 . . . . 10.0 112.302 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.51 -28.56 61.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.583 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.85 -48.34 38.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.069 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.642 HG23 ' OE1' ' D' ' 48' ' ' GLN . 6.9 mt -57.87 -37.69 61.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.148 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mt -60.46 -42.97 93.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.835 -1.075 . . . . 10.0 111.28 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -73.07 -28.31 62.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.59 -0.732 . . . . 10.0 112.5 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -69.15 -23.57 63.98 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.34 -0.985 . . . . 10.0 108.34 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.674 ' HB2' ' HG3' ' D' ' 48' ' ' GLN . 20.0 t80 -91.5 117.7 29.93 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.191 -0.913 . . . . 10.0 109.511 178.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.541 ' HG2' ' NZ ' ' C' ' 66' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.462 -0.78 . . . . 10.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.388 -0.285 . . . . 10.0 112.388 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.415 ' O ' HG23 ' B' ' 12' ' ' VAL . 82.5 m-85 -67.16 -36.23 81.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.658 0.266 . . . . 10.0 111.299 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.61 ' H ' HD23 ' B' ' 9' ' ' LEU . 1.4 pt? -73.15 -33.72 65.66 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.803 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -71.12 -31.24 67.5 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.846 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' B' ' 15' ' ' LYS . 38.1 t70 -70.37 -36.37 74.1 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.529 -0.759 . . . . 10.0 110.337 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 8' ' ' TYR . 86.1 t -71.22 -32.81 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.554 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . 0.606 ' HA ' HE21 ' B' ' 61' ' ' GLN . 58.8 m -67.15 -46.41 74.14 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.213 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.76 -22.38 56.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.26 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -58.31 -54.99 40.73 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.172 -179.531 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.68 ' HE1' HD22 ' D' ' 34' ' ' LEU . 52.1 m-85 -77.41 -27.99 52.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.358 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.91 -52.2 52.02 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 114.073 1.138 . . . . 10.0 114.073 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 14.0 m -62.96 -23.66 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.31 0.576 . . . . 10.0 110.478 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.77 -43.95 16.6 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.576 -0.738 . . . . 10.0 114.595 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.542 HG22 ' O ' ' B' ' 16' ' ' PHE . 29.5 m -108.59 27.87 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.189 0.518 . . . . 10.0 110.955 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.35 -50.17 72.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.412 -0.813 . . . . 10.0 112.586 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -76.72 -23.78 53.08 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.616 ' O ' HG23 ' B' ' 27' ' ' VAL 0.284 3.3 pp -71.96 -21.45 61.59 Favored 'General case' 0 C--O 1.226 -0.14 0 N-CA-C 113.138 0.792 . . . . 10.0 113.138 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.98 -37.81 88.61 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -73.6 -30.86 63.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.846 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.34 -31.23 69.54 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.96 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 23' ' ' LEU . 60.2 t -67.96 -48.01 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 CA-C-O 120.816 0.341 . . . . 10.0 110.395 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -67.96 -29.39 68.43 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.607 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -71.9 -43.5 65.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.911 0.386 . . . . 10.0 110.436 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.01 -24.25 61.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.491 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.47 -43.26 77.35 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.854 -0.425 . . . . 10.0 109.854 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.86 -31.14 67.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.398 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -66.62 -33.35 75.47 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.878 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.14 -31.7 69.35 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.536 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.87 -15.55 60.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.832 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.96 0.11 19.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.75 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.3 mmtm -124.04 128.57 25.04 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.4 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 21.8 Cg_exo -66.8 -61.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.771 2.314 . . . . 10.0 110.89 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.9 m -131.41 124.39 30.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.855 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.691 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -136.84 91.05 15.66 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.686 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.1 -35.7 51.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.574 2.183 . . . . 10.0 112.692 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.25 -42.58 54.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.628 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.691 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.0 mm? -72.63 -23.6 60.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.933 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.2 tp -74.53 -33.63 62.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.563 -0.289 . . . . 10.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.05 -35.41 66.72 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.507 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.72 66.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.861 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -72.43 -36.27 68.54 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.601 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.527 ' NE2' ' HG2' ' A' ' 66' ' ' LYS . 20.7 tt0 -65.12 -47.83 75.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.73 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 45.3 t -67.63 -38.82 84.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.427 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' B' ' 53' ' ' GLU . 42.9 mmtm -80.35 -22.77 41.09 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 40.1 tp -69.17 -44.93 71.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.336 0.589 . . . . 10.0 109.455 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.0 p -71.92 -27.59 62.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.091 -0.958 . . . . 10.0 110.288 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 50' ' ' LYS . 19.8 mt-10 -64.7 -36.58 84.76 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.931 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.01 -38.64 91.61 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -67.4 -33.13 74.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.111 -0.95 . . . . 10.0 109.56 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -63.59 -35.7 81.38 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.79 179.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . 0.573 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 0.4 OUTLIER -70.49 -46.44 63.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.595 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' B' ' 58' ' ' ARG . 0.4 OUTLIER -75.61 -38.86 58.68 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -178.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -70.92 -53.2 15.89 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.88 71.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.536 0.198 . . . . 10.0 111.536 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.606 HE21 ' HA ' ' B' ' 13' ' ' SER . 40.3 tt0 -67.55 -45.11 76.6 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.572 -0.285 . . . . 10.0 110.973 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 54.2 p -70.6 -23.1 62.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.71 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.488 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 1.2 m120 -73.54 -49.45 26.42 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 116.632 -0.258 . . . . 10.0 111.028 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 8.5 p -69.93 -42.26 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.302 0.852 . . . . 10.0 113.302 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.61 -41.46 90.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 112.009 0.374 . . . . 10.0 112.009 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -70.71 -33.73 71.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.609 ' O ' HG13 ' B' ' 71' ' ' ILE . 78.4 t -71.42 -52.67 24.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 112.565 0.579 . . . . 10.0 112.565 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . 0.739 ' HA ' HD12 ' B' ' 71' ' ' ILE . 0.0 OUTLIER -58.7 -28.47 65.83 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 123.195 0.309 . . . . 10.0 111.142 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -67.88 -39.66 83.67 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.523 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.462 ' HB2' HH22 ' A' ' 80' ' ' ARG . 53.8 m-20 -76.99 -26.2 53.6 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.321 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' B' ' 68' ' ' PHE . 58.4 mt -68.22 -44.48 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.092 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -69.46 -35.73 75.91 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.793 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.36 71.08 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.483 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.04 -37.81 64.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.904 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 50.5 mt -66.56 -36.11 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.808 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.39 -35.74 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.704 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -72.56 -33.84 67.07 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.061 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -71.6 -25.3 62.11 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.784 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.032 178.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 65.9 t90 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.031 0.443 . . . . 10.0 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -146.71 152.92 39.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.655 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.27 -168.84 34.99 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.718 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -67.01 -37.57 84.41 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 111.751 0.278 . . . . 10.0 111.751 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' C' ' 68' ' ' PHE . 0.8 OUTLIER -72.05 -30.17 64.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.617 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.34 -28.47 63.07 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.486 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.37 -35.92 63.55 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.674 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.84 -41.1 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.059 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . 0.553 ' HA ' HE21 ' C' ' 61' ' ' GLN . 39.1 p -70.02 -38.48 75.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.101 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.01 -23.0 58.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.783 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -64.46 -47.48 78.86 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.016 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.621 ' O ' HG22 ' C' ' 20' ' ' VAL . 37.7 m-85 -75.69 -28.67 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.785 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.61 -43.64 96.31 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -73.28 -28.63 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.885 0.374 . . . . 10.0 111.121 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.86 -37.76 56.76 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.382 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.621 HG22 ' O ' ' C' ' 16' ' ' PHE . 32.9 m -110.13 31.58 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.09 -57.09 13.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.501 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -87.89 -1.71 58.15 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.169 0.509 . . . . 10.0 110.593 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.545 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.1 tm? -71.06 -40.74 71.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.93 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.94 -31.9 73.09 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.573 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.1 m -72.86 -32.72 65.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -72.37 -34.03 67.67 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.614 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.449 HG23 ' O ' ' C' ' 23' ' ' LEU . 57.6 t -65.77 -43.64 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.832 0.349 . . . . 10.0 111.059 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -73.22 -31.06 63.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.543 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . 0.449 ' O ' ' HD3' ' C' ' 33' ' ' LYS . 26.6 tt0 -68.12 -42.24 80.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.565 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.82 61.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.257 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 tp -71.62 -42.03 68.16 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.209 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.65 -31.09 67.89 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.683 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' C' ' 37' ' ' LYS . 2.3 mptm? -66.46 -42.91 86.88 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.646 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 48.4 tp -75.34 -25.04 57.45 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.38 -37.77 26.16 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.455 0.909 . . . . 10.0 113.455 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.47 22.31 5.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' C' ' 33' ' ' LYS . 4.1 mptp? -106.6 116.72 58.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.583 0.23 . . . . 10.0 111.6 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.843 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 49.8 Cg_exo -40.77 -73.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.501 3.467 . . . . 10.0 114.082 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . 0.425 ' H ' ' HB2' ' C' ' 38' ' ' PRO . 3.7 p -150.07 125.41 10.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.903 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.678 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.1 OUTLIER -131.46 98.76 17.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.204 -179.625 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.07 -34.36 58.48 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.921 2.414 . . . . 10.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.2 -41.84 48.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.431 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.678 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.9 mm? -72.48 -26.01 61.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.13 -0.486 . . . . 10.0 112.075 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.49 -34.25 63.04 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.687 0.279 . . . . 10.0 110.721 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -37.96 68.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.191 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.97 -33.93 66.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.124 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -68.83 -40.73 79.29 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.323 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -65.06 -41.91 94.71 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 123.511 0.507 . . . . 10.0 112.125 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.4 t -67.38 -45.88 74.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -76.33 -17.39 59.44 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.119 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -43.21 57.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.791 0.329 . . . . 10.0 110.66 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -71.82 -28.56 63.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.067 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.67 -37.16 83.06 Favored 'General case' 0 N--CA 1.461 0.082 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -68.64 -38.4 80.45 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . 0.598 HD21 ' CG1' ' A' ' 67' ' ' VAL . 5.8 m-20 -62.01 -55.07 33.03 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.057 -0.974 . . . . 10.0 111.283 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.1 mm? -65.7 -28.01 68.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 10.0 112.214 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' C' ' 58' ' ' ARG . 0.6 OUTLIER -64.39 -50.98 65.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.591 0.234 . . . . 10.0 111.056 179.13 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.466 ' HE ' ' HA ' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -79.79 -29.98 40.48 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.059 0.762 . . . . 10.0 113.059 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -72.81 -41.51 64.82 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.68 -32.36 57.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.145 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.557 ' O ' HG23 ' C' ' 65' ' ' VAL . 55.0 tt0 -64.46 -47.11 80.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.971 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . 0.487 ' HB2' ' OE1' ' D' ' 48' ' ' GLN . 79.9 p -70.9 -27.26 63.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.605 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -48.38 66.81 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.021 0.438 . . . . 10.0 110.723 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . 0.603 ' O ' ' HB3' ' C' ' 68' ' ' PHE . 12.9 m -66.43 -37.61 85.56 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.699 -0.682 . . . . 10.0 111.741 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.764 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 90.9 t -65.06 -63.28 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . 0.541 ' NZ ' ' HG2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -63.22 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.291 1.219 . . . . 10.0 114.291 -177.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.57 -36.33 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . 0.603 ' HB3' ' O ' ' C' ' 64' ' ' THR . 0.0 OUTLIER -70.33 -21.47 62.91 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.992 0.425 . . . . 10.0 109.882 178.117 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.764 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 66.1 mmtt -70.98 -36.06 72.35 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.307 178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -66.81 -32.24 73.39 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.681 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' C' ' 68' ' ' PHE . 55.2 mt -67.32 -44.99 86.9 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.261 178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.32 -31.77 70.44 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.426 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.89 -29.64 65.78 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.26 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.69 -35.53 60.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.83 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.96 -42.97 89.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.251 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pp -72.82 -22.36 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.532 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -76.53 -31.28 57.53 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.024 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.945 178.722 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 48.5 p . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.698 0.285 . . . . 10.0 111.064 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.17 -27.98 59.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.423 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -62.98 -46.31 88.29 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.858 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.629 ' O ' HG22 ' D' ' 20' ' ' VAL . 43.8 m-85 -77.52 -29.19 52.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.236 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.54 -51.15 61.99 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -75.06 -23.82 58.14 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.723 0.297 . . . . 10.0 111.458 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.15 82.12 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.81 -0.709 . . . . 10.0 111.949 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.672 ' HB ' ' HB3' ' D' ' 23' ' ' LEU . 34.2 m -116.01 33.46 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 121.06 0.457 . . . . 10.0 111.298 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.93 -57.05 14.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.674 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -80.71 -5.6 57.27 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.167 0.508 . . . . 10.0 110.849 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.672 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 1.8 tm? -71.26 -36.97 71.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.667 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -65.38 -33.06 75.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.16 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -71.84 -34.02 68.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.44 -31.17 68.24 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.679 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.451 HG23 ' O ' ' D' ' 23' ' ' LEU . 58.7 t -69.14 -43.55 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 22.3 p -72.12 -29.92 64.55 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.539 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' D' ' 33' ' ' LYS . 21.1 tt0 -71.94 -41.84 67.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.75 -28.72 67.06 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.665 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.03 -38.44 75.87 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.361 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.67 -32.84 68.3 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.61 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' D' ' 37' ' ' LYS . 32.6 mmtp -65.71 -38.11 88.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.498 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.68 HD22 ' HE1' ' B' ' 16' ' ' PHE . 1.9 mt -65.65 -25.05 67.18 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.04 -51.44 42.25 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.01 18.05 21.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.973 0.731 . . . . 10.0 112.973 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' D' ' 33' ' ' LYS . 13.6 mptt -117.75 103.82 50.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.381 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.85 -68.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.072 2.514 . . . . 10.0 112.877 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . 0.403 ' HB2' HD22 ' A' ' 9' ' ' LEU . 15.0 m -111.19 128.58 55.96 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 110.389 -0.226 . . . . 10.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.862 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 51.9 m-20 -136.02 105.9 9.61 Favored Pre-proline 0 C--O 1.219 -0.545 0 N-CA-C 114.264 1.209 . . . . 10.0 114.264 -177.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' D' ' 40' ' ' ASP . 23.0 Cg_endo -65.55 -45.14 7.32 Favored 'Trans proline' 0 C--N 1.33 -0.397 0 C-N-CA 121.979 1.786 . . . . 10.0 111.347 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.42 -56.78 4.18 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 113.509 0.929 . . . . 10.0 113.509 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 1.6 mm? -62.56 -33.25 74.58 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.587 1.328 . . . . 10.0 114.587 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.862 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.0 OUTLIER -69.13 -42.45 75.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.954 0.353 . . . . 10.0 111.954 -179.355 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.43 -31.43 62.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.455 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.49 -40.96 69.86 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -68.68 -32.91 73.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.556 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . 0.674 ' HG3' ' HB2' ' A' ' 79' ' ' PHE . 18.8 tt0 -63.16 -42.89 99.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.252 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 42.0 t -75.35 -38.26 60.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.796 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . 0.509 ' HD2' ' CD2' ' D' ' 23' ' ' LEU . 34.7 mmtm -74.58 -31.49 62.08 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.484 HD23 ' CZ ' ' A' ' 79' ' ' PHE . 42.1 tp -73.35 -42.03 62.75 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.652 0.263 . . . . 10.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 89.4 p -68.64 -28.6 67.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.425 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.1 -36.3 83.87 Favored 'General case' 0 C--N 1.338 0.075 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -65.79 -34.05 77.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.001 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.12 -54.4 45.0 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.929 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' D' ' 56' ' ' LEU . 2.8 mm? -69.55 -26.88 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.55 0.944 . . . . 10.0 113.55 -179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' D' ' 61' ' ' GLN . 9.1 t80 -58.98 -45.88 89.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 177.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -36.21 25.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.498 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.5 -51.51 50.19 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.09 -33.38 73.42 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.887 0.329 . . . . 10.0 111.887 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' D' ' 57' ' ' TYR . 56.5 tt0 -63.49 -54.0 43.2 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.666 -0.243 . . . . 10.0 110.966 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 83.4 p -70.94 -22.1 62.26 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.63 -52.52 25.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.68 -37.14 86.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.267 -0.424 . . . . 10.0 112.1 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . 0.448 HG23 ' O ' ' D' ' 61' ' ' GLN . 96.2 t -62.96 -37.9 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.829 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.205 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.375 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.648 ' CZ2' HD23 ' B' ' 23' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.417 0.151 . . . . 10.0 111.065 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -149.89 154.33 38.16 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.82 171.0 35.7 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 111.197 -0.761 . . . . 10.0 111.197 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -66.74 -46.03 76.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.159 0.48 . . . . 10.0 111.626 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.548 HD22 ' HE2' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -74.62 -29.56 61.34 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.713 0.292 . . . . 10.0 110.627 179.317 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.11 -35.74 69.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.02 0.438 . . . . 10.0 109.898 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.599 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 28.1 t70 -73.09 -41.78 63.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.424 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.415 HG23 HD22 ' C' ' 31' ' ' LEU . 2.8 p -66.19 -28.22 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 111.763 0.283 . . . . 10.0 111.763 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -71.61 -37.61 70.92 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.26 -23.5 59.14 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.147 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HZ1' ' HB3' ' C' ' 35' ' ' ALA . 5.2 mmmp? -63.35 -47.02 83.86 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.551 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' HD1' ' A' ' 57' ' ' TYR . 43.1 m-85 -73.62 -30.57 63.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.203 -0.908 . . . . 10.0 111.355 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.67 -51.81 56.5 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 m -73.4 -23.35 60.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.109 0.481 . . . . 10.0 109.759 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.44 -52.11 42.66 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.35 -0.841 . . . . 10.0 113.241 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 17.3 m -112.73 32.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.2 -55.45 31.95 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.555 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -72.57 -18.57 61.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.218 0.532 . . . . 10.0 110.454 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.49 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.0 tm? -70.91 -34.33 71.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.348 -0.842 . . . . 10.0 110.795 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 87.0 mm-40 -61.04 -47.73 85.04 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.927 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -68.22 -26.39 65.68 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.567 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -70.91 -30.37 66.69 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.648 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 23' ' ' LEU . 67.7 t -69.5 -45.17 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-O 120.832 0.348 . . . . 10.0 110.257 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -73.36 -24.84 60.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.623 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -76.29 -39.46 54.14 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.889 0.376 . . . . 10.0 110.489 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.65 -24.49 58.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.406 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.67 -36.61 67.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.334 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.56 -37.59 74.01 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.651 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -71.13 -33.44 70.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.098 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -35.26 73.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.321 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.78 -25.4 61.16 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.93 0.12 57.48 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.89 0.33 . . . . 10.0 111.89 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.9 mmtm -125.74 142.7 42.85 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 34.1 Cg_exo -62.84 -65.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.648 2.232 . . . . 10.0 111.846 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 p -150.11 125.51 10.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.047 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.867 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 1.1 m-20 -128.13 114.84 20.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 20.7 Cg_endo -63.63 -34.72 62.24 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.306 2.004 . . . . 10.0 111.72 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.83 56.21 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.906 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.867 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 4.1 mm? -72.01 -29.08 63.84 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.0 -32.1 56.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.742 -0.208 . . . . 10.0 111.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.04 -37.03 64.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.915 0.388 . . . . 10.0 110.67 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.42 -39.95 64.63 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.856 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -69.87 -33.44 72.24 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.108 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -64.13 -43.18 96.08 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.698 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.0 t -70.98 -38.59 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.934 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 68.1 mmtt -74.05 -23.2 59.34 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 51' ' ' LEU . 9.0 mt -74.44 -38.76 62.91 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.827 0.346 . . . . 10.0 110.665 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.4 p -71.34 -29.61 65.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.84 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.509 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 49.9 mt-10 -68.76 -36.57 78.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.933 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -69.98 -36.23 75.02 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.673 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 15.3 t30 -65.29 -35.25 80.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.221 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.468 HD11 HD11 ' C' ' 44' ' ' LEU . 0.7 OUTLIER -73.57 -31.5 63.65 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.502 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.477 ' HD1' ' HB3' ' A' ' 16' ' ' PHE . 2.4 t80 -66.54 -48.69 68.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.094 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 58' ' ' ARG . 0.9 OUTLIER -73.28 -28.02 61.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.686 -179.714 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -76.12 -44.8 36.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.798 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.28 -31.28 71.49 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.824 0.345 . . . . 10.0 111.142 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -71.14 -44.8 64.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.796 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.9 p -71.39 -26.83 62.94 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.078 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -41.93 61.91 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.314 -0.403 . . . . 10.0 112.042 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.1 p -67.97 -38.59 82.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.2 t -71.27 -28.96 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 10.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -72.99 -47.53 44.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -72.54 -39.43 61.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.92 0.391 . . . . 10.0 111.386 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.705 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 10.3 t80 -65.09 -45.3 85.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.705 -0.679 . . . . 10.0 111.707 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HA ' ' HD3' ' A' ' 69' ' ' LYS . 18.7 mmtp -67.95 -33.79 75.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.524 0.564 . . . . 10.0 112.524 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.86 -54.06 51.17 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.939 0.4 . . . . 10.0 111.038 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -67.61 -37.45 78.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.179 -179.405 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.11 -36.05 83.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.756 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.28 75.55 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.51 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.15 81.34 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 10.0 110.718 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.555 HG23 ' OE1' ' D' ' 48' ' ' GLN . 25.8 mt -66.45 -36.89 78.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.549 0.69 . . . . 10.0 109.496 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.644 HD12 HD22 ' D' ' 44' ' ' LEU . 0.9 OUTLIER -55.43 -47.15 78.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 114.508 -1.224 . . . . 10.0 112.389 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.406 ' N ' HG22 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -81.23 -10.26 59.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.652 -0.419 . . . . 10.0 112.059 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.428 HD21 ' HB2' ' C' ' 66' ' ' LYS . 12.7 t-20 -70.39 -24.0 62.87 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 176.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.799 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 25.8 m-85 -69.41 87.76 0.46 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.201 -1.363 . . . . 10.0 110.279 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' HG22 ' B' ' 67' ' ' VAL . 13.4 ptm180 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.069 -0.967 . . . . 10.0 111.957 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.298 0 N-CA-C 112.188 -0.365 . . . . 10.0 112.188 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -66.96 -48.83 67.33 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -75.09 -26.1 59.04 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.764 0.316 . . . . 10.0 111.058 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -72.53 -38.36 68.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.124 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.445 ' OD2' HD21 ' D' ' 31' ' ' LEU . 20.5 t70 -73.35 -36.25 66.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.839 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.9 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 0.9 OUTLIER -67.84 -28.1 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.028 0.442 . . . . 10.0 111.242 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 70.7 m -74.23 -36.84 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.33 -33.58 61.14 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.461 -0.79 . . . . 10.0 112.295 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . 0.905 ' HZ3' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -64.38 -39.0 93.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.729 0.299 . . . . 10.0 110.969 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.459 ' O ' HG22 ' B' ' 20' ' ' VAL . 23.0 m-85 -75.33 -29.95 60.13 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.373 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -65.81 -54.04 32.13 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.943 1.09 . . . . 10.0 113.943 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -71.67 -22.39 61.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.253 0.549 . . . . 10.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.55 -51.71 34.91 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 115.24 -0.891 . . . . 10.0 115.083 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' B' ' 24' ' ' GLN . 22.7 m -110.74 28.0 2.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 120.968 0.413 . . . . 10.0 111.781 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.6 -39.04 93.36 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.066 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -72.92 -35.95 67.15 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.648 HD23 ' CZ2' ' A' ' 5' ' ' TRP 0.277 2.2 pp -71.63 -21.77 61.78 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' B' ' 20' ' ' VAL . 86.2 mm-40 -58.86 -48.28 81.91 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 10.0 110.267 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.2 t -72.99 -25.95 61.17 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.538 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' B' ' 23' ' ' LEU . 18.7 mm-40 -70.69 -29.42 65.71 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.444 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 23' ' ' LEU . 87.4 t -71.48 -45.62 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 31.3 p -71.39 -24.95 62.16 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.151 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.63 -38.45 54.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.231 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.88 -25.31 58.86 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.47 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.99 -36.02 66.99 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.846 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.36 -38.96 78.34 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.07 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -71.44 -26.4 62.71 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.065 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -40.21 69.07 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.552 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.74 -19.46 59.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.763 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.15 -10.46 49.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.774 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -122.19 148.03 50.95 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.205 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -65.33 -59.92 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.702 2.268 . . . . 10.0 111.426 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p -157.97 125.82 5.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.702 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.434 ' HA ' ' HD2' ' B' ' 41' ' ' PRO . 0.5 OUTLIER -135.26 112.25 11.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.249 179.476 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 26.2 Cg_endo -63.61 -29.32 69.96 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.815 2.343 . . . . 10.0 112.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.0 -43.63 61.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.69 -26.83 61.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.594 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.81 -32.08 61.88 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.541 -0.3 . . . . 10.0 111.332 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.91 -36.6 64.74 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.361 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.68 -39.48 64.37 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.632 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -70.37 -32.68 70.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.855 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -61.91 -49.46 76.1 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.344 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.0 p -69.41 -37.81 77.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.277 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' B' ' 50' ' ' LYS . 67.7 mmtt -71.99 -27.36 62.7 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.15 -39.86 71.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.511 . . . . 10.0 109.712 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -72.7 -28.41 62.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.437 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.88 -35.98 77.54 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.161 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.89 -34.57 76.92 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.724 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 64.0 t30 -66.36 -28.83 68.96 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.364 -0.835 . . . . 10.0 109.749 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.477 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.6 OUTLIER -66.22 -43.32 87.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.673 179.659 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.26 -52.22 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.738 -0.664 . . . . 10.0 112.522 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 58' ' ' ARG . 1.0 OUTLIER -71.19 -23.97 62.14 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -178.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.724 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 1.1 t-20 -78.97 -61.7 1.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.901 1.074 . . . . 10.0 113.901 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.12 -31.23 68.75 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.541 0.21 . . . . 10.0 110.543 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.08 -50.08 67.55 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.785 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 95.8 p -70.68 -27.47 64.04 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.967 0.413 . . . . 10.0 111.177 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.799 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 3.4 m120 -73.55 -39.14 64.94 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.401 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -71.01 -40.17 71.97 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' B' ' 69' ' ' LYS . 98.3 t -65.22 -30.52 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.595 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -67.09 -45.13 78.2 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.579 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.423 HG22 ' C ' ' A' ' 80' ' ' ARG . 21.2 t -69.82 -44.63 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-O 120.787 0.327 . . . . 10.0 111.498 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -63.51 -50.71 68.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 10.0 112.372 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' B' ' 69' ' ' LYS . 0.2 OUTLIER -64.57 -33.9 77.0 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 113.192 0.812 . . . . 10.0 113.192 -179.1 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.87 -57.45 12.73 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.874 0.368 . . . . 10.0 111.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.41 ' H ' HG13 ' B' ' 71' ' ' ILE . 1.8 pp -71.33 -26.97 27.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . 0.467 ' HA ' HD12 ' B' ' 75' ' ' ILE . 32.7 t70 -69.64 -34.71 74.42 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 10.0 110.262 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.36 68.18 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.493 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.72 84.81 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.828 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' B' ' 72' ' ' ASP . 4.4 mt -71.8 -38.21 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.784 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.45 -41.19 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.73 -17.72 59.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.086 -0.507 . . . . 10.0 110.709 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -75.07 -27.04 59.79 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.713 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 . . . . . 0 C--O 1.233 0.208 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.684 179.155 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 2.2 m95 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.592 0.234 . . . . 10.0 110.632 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -137.14 148.36 46.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 10.0 111.397 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.03 165.09 25.84 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.309 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.93 -44.84 79.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.693 0.282 . . . . 10.0 111.623 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' C' ' 10' ' ' ASP . 0.4 OUTLIER -74.91 -29.34 60.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.846 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . 0.431 ' N ' ' HG ' ' C' ' 9' ' ' LEU . 26.7 t70 -71.76 -33.42 68.62 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.504 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' C' ' 15' ' ' LYS . 26.8 t70 -72.74 -44.87 61.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.093 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.14 -27.95 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 112.057 0.392 . . . . 10.0 112.057 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m -69.84 -37.85 76.32 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.19 -23.98 61.35 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.803 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' C' ' 11' ' ' ASP . 3.2 mmmp? -65.29 -43.26 91.71 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.534 ' HB3' ' CD1' ' C' ' 57' ' ' TYR . 31.0 m-85 -77.39 -33.06 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.448 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -64.82 -45.07 87.76 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.533 0.568 . . . . 10.0 112.533 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -79.4 -25.75 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 10.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.29 -47.91 55.44 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.722 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.52 HG22 ' O ' ' C' ' 16' ' ' PHE . 30.4 m -109.19 31.84 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.16 -55.94 26.5 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.241 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -77.97 -14.1 59.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.574 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.517 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.3 tm? -71.14 -35.2 71.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.49 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' C' ' 20' ' ' VAL . 87.7 mm-40 -61.01 -47.66 85.43 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.755 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -68.13 -26.01 65.58 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.412 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -71.44 -29.31 64.72 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.564 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 23' ' ' LEU . 96.1 t -70.67 -45.64 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.934 0.397 . . . . 10.0 110.304 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 28.4 p -72.75 -25.78 61.32 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.507 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -75.38 -38.71 59.81 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.547 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.25 -24.24 60.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.506 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . 0.415 HD22 HG23 ' A' ' 12' ' ' VAL . 8.9 mt -72.1 -36.53 69.51 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.069 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.53 -39.39 81.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.299 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -71.59 -40.62 69.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.784 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.12 -52.78 53.33 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . 0.608 ' HB3' ' HZ1' ' A' ' 15' ' ' LYS . . . -68.97 -19.34 64.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -178.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.45 12.41 31.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.338 0.589 . . . . 10.0 111.843 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' C' ' 38' ' ' PRO . 40.2 mmtm -135.15 138.46 29.25 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.444 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.509 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 60.2 Cg_exo -54.39 -70.99 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 123.182 2.588 . . . . 10.0 113.688 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 22.1 m -141.4 125.73 17.56 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.733 0.301 . . . . 10.0 111.366 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.746 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 2.4 m-20 -132.13 104.4 13.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.159 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 25.9 Cg_endo -64.18 -33.14 61.78 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.227 1.951 . . . . 10.0 112.244 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.33 -37.25 60.84 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.911 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.746 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.1 mm? -72.45 -28.46 62.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.76 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 56' ' ' LEU . 18.2 mt -74.4 -32.97 62.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.628 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.95 -37.98 64.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.043 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.51 66.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.187 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -71.67 -33.33 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.273 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' C' ' 48' ' ' GLN . 6.0 tt0 -62.9 -47.94 81.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.77 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.3 t -67.96 -39.07 83.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.354 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -73.85 -22.2 59.84 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.39 -40.88 66.89 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.748 0.308 . . . . 10.0 110.742 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 52.5 p -74.05 -28.42 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.017 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.79 -36.61 83.69 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -73.64 -33.03 64.32 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.192 -0.913 . . . . 10.0 108.679 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' C' ' 59' ' ' ASN . 7.6 t30 -65.23 -43.04 92.7 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.203 -0.908 . . . . 10.0 111.025 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.509 HD13 ' HA ' ' C' ' 56' ' ' LEU . 0.6 OUTLIER -74.16 -28.61 61.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' C' ' 16' ' ' PHE . 0.5 OUTLIER -67.04 -49.73 64.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.719 0.295 . . . . 10.0 111.265 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.583 ' HB2' HD11 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -72.38 -33.49 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.773 -179.219 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' C' ' 55' ' ' ASN . 0.7 OUTLIER -70.31 -33.73 71.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.79 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.3 -29.93 65.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.206 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.451 ' O ' HG23 ' C' ' 65' ' ' VAL . 11.0 tt0 -72.34 -45.11 61.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . 0.509 ' HA ' HE22 ' D' ' 48' ' ' GLN . 58.5 p -70.0 -24.89 63.37 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.706 0.289 . . . . 10.0 110.692 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -46.86 29.67 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.901 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 15.6 p -65.1 -38.46 90.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.94 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . 0.451 HG23 ' O ' ' C' ' 61' ' ' GLN . 64.4 t -69.77 -28.49 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 120.856 0.36 . . . . 10.0 110.603 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . 0.428 ' HB2' HD21 ' A' ' 78' ' ' ASN . 21.2 tptp -75.6 -47.96 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.875 0.694 . . . . 10.0 112.875 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 18.2 m -72.57 -38.57 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 113.193 0.812 . . . . 10.0 113.193 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -68.61 -40.47 80.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.812 0.339 . . . . 10.0 110.924 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.536 ' HD3' ' HA ' ' C' ' 69' ' ' LYS . 26.1 mmtp -72.64 -33.52 66.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.92 0.711 . . . . 10.0 112.92 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.98 -50.93 71.69 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.83 0.348 . . . . 10.0 110.892 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 28.6 pt -74.9 -26.01 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.95 -33.65 68.36 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.801 0.334 . . . . 10.0 110.615 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.38 71.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.365 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.14 87.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.811 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.73 -38.83 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.822 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.94 -39.02 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.455 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -71.71 -19.11 62.1 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.818 0.342 . . . . 10.0 110.393 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.026 178.449 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.652 0.263 . . . . 10.0 110.614 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.8 -24.65 63.52 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.557 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' D' ' 15' ' ' LYS . 4.6 mmmp? -68.57 -38.93 81.13 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.79 0.329 . . . . 10.0 110.536 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -77.71 -33.8 52.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.898 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -64.89 -49.97 68.39 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.09 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -78.46 -27.41 46.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.592 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.99 -47.37 89.3 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.125 -0.559 . . . . 10.0 113.078 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' D' ' 23' ' ' LEU . 28.8 m -115.55 32.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 10.0 111.735 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.55 -45.19 92.55 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.434 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -75.38 -19.46 59.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.471 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.552 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 1.7 tt -71.71 -32.91 68.31 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.143 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.75 -45.62 91.66 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.314 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -72.89 -26.04 61.29 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.307 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -71.78 -30.61 65.73 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.461 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.431 HG23 ' O ' ' D' ' 23' ' ' LEU . 79.2 t -72.16 -43.25 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.394 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 35.3 p -73.39 -24.78 60.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.198 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.96 -36.58 56.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.672 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.94 -29.79 58.46 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.573 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . 0.445 HD21 ' OD2' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -71.75 -35.89 70.26 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.475 179.069 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.28 -38.9 71.8 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.825 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -66.86 -47.57 71.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.986 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -57.97 -24.36 57.72 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.675 0.61 . . . . 10.0 112.577 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . 0.905 ' HA ' ' HZ3' ' B' ' 15' ' ' LYS . . . -49.66 -52.9 27.54 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.352 . . -99.73 26.2 6.46 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 115.972 1.842 . . . . 10.0 115.972 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -131.02 110.77 15.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.203 -1.036 . . . . 10.0 108.203 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.502 ' HG3' ' CZ3' ' A' ' 5' ' ' TRP . 18.7 Cg_endo -57.32 -74.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.944 2.429 . . . . 10.0 113.634 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . 0.427 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 2.3 m -107.58 133.4 52.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.769 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 7.8 m-20 -135.69 110.18 10.27 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.705 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 42.7 Cg_endo -68.6 -45.59 2.33 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 122.74 2.293 . . . . 10.0 110.689 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.489 ' HA ' ' CZ ' ' C' ' 58' ' ' ARG . . . -78.1 -52.37 8.84 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.812 -1.086 . . . . 10.0 112.436 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.7 mm? -64.12 -28.82 70.03 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.769 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -81.8 -35.9 29.0 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 179.564 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.27 -34.54 65.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.876 0.37 . . . . 10.0 110.455 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.36 -37.83 65.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.172 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 12.9 t80 -70.72 -32.75 70.06 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.116 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . 0.555 ' OE1' HG23 ' A' ' 75' ' ' ILE . 7.5 tt0 -63.31 -40.74 98.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.269 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 23.9 t -75.03 -40.03 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.417 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -74.51 -24.61 59.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.521 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 0.5 OUTLIER -74.32 -37.73 63.5 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.017 0.437 . . . . 10.0 109.908 179.123 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 91.6 p -73.4 -28.89 62.25 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.356 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.0 -36.5 72.49 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.235 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -72.39 -28.59 63.09 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -59.88 -48.85 80.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.42 -1.264 . . . . 10.0 110.968 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -27.48 59.22 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 113.607 0.966 . . . . 10.0 113.607 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -57.18 -44.46 83.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 10.0 110.395 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -81.34 -29.73 34.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.775 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -75.79 -43.0 48.47 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.45 70.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.541 -0.299 . . . . 10.0 110.671 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -69.72 -40.51 76.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.361 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 91.2 p -71.12 -25.69 62.69 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.927 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.31 -42.5 44.95 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.986 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -62.1 -38.04 87.36 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.646 0.26 . . . . 10.0 111.599 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.64 -29.91 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.768 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 tptp . . . . . 0 C--N 1.333 -0.139 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.686 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.421 ' HZ3' ' HB2' ' A' ' 10' ' ' ASP . 4.1 t90 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.912 0.387 . . . . 10.0 111.393 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -130.9 143.17 50.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.28 160.31 30.8 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.316 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -66.95 -33.05 74.73 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.728 0.299 . . . . 10.0 111.009 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -66.79 -31.69 72.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.878 179.186 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.421 ' HB2' ' HZ3' ' A' ' 5' ' ' TRP . 17.3 t70 -72.3 -33.15 67.18 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.947 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.23 -37.3 80.68 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.653 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.13 -38.1 79.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.879 0.371 . . . . 10.0 110.688 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.525 ' HB3' HE21 ' A' ' 61' ' ' GLN . 60.3 m -66.12 -37.89 86.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.319 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.1 57.63 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.469 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -64.09 -51.81 62.25 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.798 0.332 . . . . 10.0 110.781 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.517 ' O ' HG22 ' A' ' 20' ' ' VAL . 20.7 m-85 -69.16 -29.36 67.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.396 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.42 -39.15 91.77 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.747 -0.661 . . . . 10.0 112.493 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.0 m -68.78 -32.43 72.16 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.646 0.26 . . . . 10.0 110.669 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.78 -30.48 74.55 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.649 -0.581 . . . . 10.0 111.649 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.588 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 28.0 m -120.15 33.38 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.21 -56.16 25.67 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.42 0.896 . . . . 10.0 113.42 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -81.2 -0.24 39.62 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.395 0.617 . . . . 10.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.588 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -71.17 -36.67 72.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.837 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -56.33 -46.94 79.67 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -72.3 -26.48 61.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.268 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.23 -32.02 69.7 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.994 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 23' ' ' LEU . 99.3 t -68.33 -46.47 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.365 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -68.0 -30.68 69.99 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.908 -0.587 . . . . 10.0 112.031 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -76.07 -41.13 51.52 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.169 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.0 71.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.07 -36.66 66.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.668 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.71 -39.0 80.68 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.522 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -71.2 -40.2 71.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.406 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -28.64 67.95 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.601 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.69 -22.78 63.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.846 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.84 -2.42 18.46 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 25.8 mmtp -107.95 123.5 37.54 Favored Pre-proline 0 N--CA 1.462 0.174 0 CA-C-N 116.609 -0.269 . . . . 10.0 111.427 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -61.9 -64.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.918 2.412 . . . . 10.0 111.818 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 p -140.45 123.73 16.8 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.936 0.398 . . . . 10.0 111.064 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.834 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.27 112.85 8.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.457 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 20.2 Cg_endo -62.48 -38.85 49.4 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.413 2.076 . . . . 10.0 112.491 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.35 -41.22 57.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.71 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.834 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 4.2 mm? -72.12 -25.25 61.65 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.243 0.461 . . . . 10.0 112.243 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.4 tp -74.77 -38.97 62.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.921 0.391 . . . . 10.0 110.372 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.9 -31.59 63.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.294 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.81 65.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.009 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -69.51 -35.11 75.2 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.307 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -69.05 -45.86 69.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.329 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.618 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 41.5 t -68.87 -41.83 77.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.378 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -69.49 -29.55 67.22 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.91 0.708 . . . . 10.0 112.91 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -73.33 -29.7 62.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.951 0.405 . . . . 10.0 110.33 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.8 m -73.84 -30.03 62.45 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.56 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.661 ' HG2' ' HA ' ' C' ' 38' ' ' PRO . 34.9 mt-10 -70.56 -36.83 73.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.623 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.05 -35.12 77.72 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.539 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 27.4 t30 -64.53 -46.62 82.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.181 -0.918 . . . . 10.0 110.462 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.98 -28.46 65.55 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -53.37 47.25 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.711 -0.222 . . . . 10.0 111.111 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -29.03 59.36 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.292 0.479 . . . . 10.0 112.292 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.539 ' HB2' ' O ' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -69.91 -45.18 68.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.588 -0.278 . . . . 10.0 111.202 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.33 65.0 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.112 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.525 HE21 ' HB3' ' A' ' 13' ' ' SER . 61.5 tt0 -70.99 -42.97 68.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.9 p -71.72 -26.89 62.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.893 0.378 . . . . 10.0 110.86 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -74.63 -36.03 62.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.729 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.8 p -70.45 -42.59 71.29 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.79 -31.0 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.8 0.333 . . . . 10.0 110.933 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -75.38 -48.08 24.58 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 71' ' ' ILE . 28.1 t -75.37 -41.1 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.761 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 77.5 t80 -62.37 -39.47 93.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.297 0.57 . . . . 10.0 111.407 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.557 ' HG3' ' OG ' ' B' ' 52' ' ' SER . 0.3 OUTLIER -66.72 -35.82 81.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.551 179.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -66.76 -27.86 67.94 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.035 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 68' ' ' PHE . 21.0 mt -60.85 -54.49 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.546 0.689 . . . . 10.0 109.994 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.673 ' O ' HG23 ' A' ' 76' ' ' ILE . 20.4 m-20 -64.36 -30.49 71.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.372 -1.286 . . . . 10.0 112.699 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.589 ' O ' HG12 ' A' ' 76' ' ' ILE . . . -59.26 -40.68 86.79 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.091 0.472 . . . . 10.0 111.539 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.737 ' O ' ' HG2' ' A' ' 77' ' ' GLN . . . -75.56 -28.06 58.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.929 0.395 . . . . 10.0 111.127 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.554 ' HA ' ' ND2' ' A' ' 78' ' ' ASN . 8.2 mt -68.43 -34.1 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.075 0.464 . . . . 10.0 110.636 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.767 HD13 HD21 ' B' ' 55' ' ' ASN . 9.8 pt -74.96 -24.94 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.482 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.737 ' HG2' ' O ' ' A' ' 74' ' ' ALA . 2.6 pt20 -68.9 -27.82 66.12 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.554 ' ND2' ' HA ' ' A' ' 75' ' ' ILE . 6.8 m-20 -73.93 -33.68 64.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.299 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -66.21 143.8 57.02 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.647 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.139 -0.934 . . . . 10.0 111.498 179.111 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.966 -0.054 . . . . 10.0 112.966 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -67.07 -35.63 80.24 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.841 0.353 . . . . 10.0 111.012 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.601 ' H ' HD23 ' B' ' 9' ' ' LEU . 0.8 OUTLIER -69.52 -31.69 70.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.121 179.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.78 -33.2 66.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.672 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.73 -40.06 80.07 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.421 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -28.02 30.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.935 0.398 . . . . 10.0 111.511 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 72.7 m -70.41 -37.18 74.42 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.57 57.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.359 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -59.07 -55.14 38.87 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.925 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.526 ' O ' HG22 ' B' ' 20' ' ' VAL . 10.2 m-85 -72.8 -28.71 62.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.973 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.69 -48.81 70.78 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.7 m -62.22 -27.37 68.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.857 0.36 . . . . 10.0 111.659 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.35 -31.84 58.68 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.749 -0.738 . . . . 10.0 112.249 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.553 ' HB ' HD23 ' B' ' 23' ' ' LEU . 27.0 m -115.74 31.91 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.055 0.455 . . . . 10.0 110.364 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.17 -54.7 43.97 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.57 -0.741 . . . . 10.0 112.476 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -78.25 -2.84 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.533 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.553 HD23 ' HB ' ' B' ' 20' ' ' VAL . 23.2 tp -72.32 -32.93 66.98 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.804 0.668 . . . . 10.0 112.804 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -55.83 -48.19 75.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.824 0.345 . . . . 10.0 111.395 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -73.62 -26.58 60.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.068 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -72.01 -37.75 69.72 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.702 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.78 -32.61 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.688 -0.233 . . . . 10.0 111.496 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 32.0 p -77.08 -29.57 55.06 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.755 0.312 . . . . 10.0 110.709 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -77.13 -36.54 55.33 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.362 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.02 -31.48 70.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.631 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.1 tp -73.1 -36.16 66.73 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.239 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.02 -38.78 76.01 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.571 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -71.41 -33.94 69.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.202 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.5 OUTLIER -70.98 -31.03 67.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.958 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.49 -16.34 60.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.412 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.59 -6.98 20.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.309 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.1 mmtm -106.61 129.5 24.35 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.379 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 39.1 Cg_exo -63.22 -54.98 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.684 2.256 . . . . 10.0 110.705 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.9 p -154.57 124.07 6.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.974 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . 0.693 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 3.4 t70 -137.18 109.49 8.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.647 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.63 -35.6 79.95 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.714 2.276 . . . . 10.0 112.513 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.63 -44.43 56.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.304 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.693 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.6 mm? -72.33 -20.66 61.45 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -75.73 -44.72 40.43 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.902 0.382 . . . . 10.0 110.492 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.03 -28.4 62.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.827 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.39 -46.6 47.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.803 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -65.82 -36.06 82.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.137 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -66.44 -42.09 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.163 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' B' ' 53' ' ' GLU . 1.5 t -67.71 -43.5 79.91 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.094 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -70.14 -28.57 65.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 10.0 112.091 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.1 -29.79 67.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.557 ' OG ' ' HG3' ' A' ' 69' ' ' LYS . 18.3 m -65.21 -53.19 48.27 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 115.41 -0.813 . . . . 10.0 110.403 178.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . 0.486 ' OE1' ' HB2' ' D' ' 38' ' ' PRO . 0.7 OUTLIER -54.19 -35.21 62.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.731 -1.122 . . . . 10.0 111.707 -178.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -67.81 -41.7 82.68 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.767 HD21 HD13 ' A' ' 76' ' ' ILE . 8.2 t30 -69.92 -27.54 64.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.701 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' B' ' 56' ' ' LEU . 0.9 OUTLIER -72.88 -34.49 66.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.233 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -54.11 9.47 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.258 0.836 . . . . 10.0 113.258 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -36.79 79.59 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 114.224 1.194 . . . . 10.0 114.224 -177.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.524 ' OD1' ' HB ' ' A' ' 76' ' ' ILE . 27.6 t-20 -74.29 -50.32 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.099 0.778 . . . . 10.0 113.099 -178.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.45 70.64 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -68.01 -40.51 82.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.167 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m -70.67 -30.03 66.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.967 0.413 . . . . 10.0 110.142 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -72.6 -40.96 66.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.741 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 28.6 p -68.2 -41.38 81.44 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 69.5 t -72.44 -29.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.72 0.295 . . . . 10.0 111.281 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -75.66 -48.79 20.61 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.657 ' O ' HG13 ' B' ' 71' ' ' ILE . 49.1 t -69.75 -46.51 74.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 112.021 0.378 . . . . 10.0 112.021 -179.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' B' ' 71' ' ' ILE . 51.1 t80 -59.07 -33.11 70.42 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.209 0.318 . . . . 10.0 111.153 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -67.74 -35.8 79.4 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.981 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -74.52 -27.07 60.38 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.363 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.657 HG13 ' O ' ' B' ' 67' ' ' VAL . 25.4 mt -66.84 -48.54 79.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 121.02 0.438 . . . . 10.0 110.125 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . 0.538 ' O ' HG13 ' B' ' 76' ' ' ILE . 10.9 m-20 -69.94 -28.57 65.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.626 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.23 86.58 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.952 0.406 . . . . 10.0 110.703 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 77' ' ' GLN . . . -70.55 -35.71 73.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.126 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.626 ' HA ' ' ND2' ' B' ' 78' ' ' ASN . 62.0 mt -64.35 -32.07 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.11 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 72' ' ' ASP . 54.8 mt -69.27 -38.32 77.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.711 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' B' ' 74' ' ' ALA . 3.5 pt20 -68.48 -21.81 64.6 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.487 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.626 ' ND2' ' HA ' ' B' ' 75' ' ' ILE . 61.4 m-20 -74.69 -39.45 61.97 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.165 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.24 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.717 0.294 . . . . 10.0 110.578 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -130.03 136.6 49.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.234 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.62 164.3 33.88 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.598 -0.81 . . . . 10.0 112.978 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -67.24 -33.97 76.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.809 0.338 . . . . 10.0 111.313 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -29.7 69.65 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.501 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -72.09 -32.23 66.82 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.871 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.41 -36.84 74.28 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.476 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.45 HG11 HG21 ' C' ' 64' ' ' THR . 26.9 t -68.72 -39.7 80.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.885 0.374 . . . . 10.0 110.942 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' SER . . . . . 0.627 ' HB3' HE21 ' C' ' 61' ' ' GLN . 63.0 m -66.39 -39.75 89.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.589 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -22.85 58.31 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.391 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -47.4 79.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.783 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.505 ' O ' HG22 ' C' ' 20' ' ' VAL . 26.6 m-85 -72.31 -30.32 64.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.363 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -65.12 -38.47 90.76 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.634 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -63.34 -36.75 84.75 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.72 0.295 . . . . 10.0 111.388 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.5 -25.59 73.83 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.911 -0.661 . . . . 10.0 112.491 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 32.0 m -116.55 31.99 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.715 0.293 . . . . 10.0 111.305 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.81 -56.08 25.48 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -84.49 1.54 45.17 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.316 0.579 . . . . 10.0 110.558 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.52 ' HB3' ' O ' ' C' ' 20' ' ' VAL . 1.2 tm? -71.76 -40.24 69.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.189 -0.914 . . . . 10.0 111.427 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -56.45 -44.9 80.94 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -72.8 -26.61 61.57 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.561 -0.291 . . . . 10.0 111.069 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.73 -32.58 69.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.898 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 23' ' ' LEU . 89.2 t -68.83 -42.97 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.48 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 36.7 p -71.43 -29.23 64.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.772 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.43 -40.86 57.13 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.774 0.321 . . . . 10.0 110.566 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.35 69.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.476 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.99 -36.76 67.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.446 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.19 -36.5 81.88 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.436 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 64.0 mttp -70.96 -50.23 36.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.52 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.409 ' O ' HD13 ' C' ' 34' ' ' LEU . 1.5 tm? -68.08 -25.52 65.37 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.01 -34.43 59.85 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.45 24.27 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 0.2 OUTLIER -105.04 117.5 58.46 Favored Pre-proline 0 N--CA 1.463 0.208 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' PRO . . . . . 0.661 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 96.9 Cg_exo -47.83 -72.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.322 3.348 . . . . 10.0 113.495 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 51.5 p -146.18 124.3 12.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.25 0.548 . . . . 10.0 111.661 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . 0.818 ' HB3' ' HB2' ' C' ' 43' ' ' LEU . 0.4 OUTLIER -137.85 103.7 8.29 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.44 179.121 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 19.0 Cg_endo -61.92 -35.99 74.61 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.447 2.098 . . . . 10.0 112.133 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -40.77 57.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.4 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.818 ' HB2' ' HB3' ' C' ' 40' ' ' ASP . 4.2 mm? -72.7 -25.33 61.19 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.546 0.573 . . . . 10.0 112.546 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 45.0 tp -71.98 -40.88 68.27 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.804 0.335 . . . . 10.0 110.803 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.91 -30.67 62.71 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.496 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.74 63.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.156 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -69.05 -36.79 78.06 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -69.17 -42.3 76.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.409 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 44.9 t -72.06 -38.81 69.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.445 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -71.05 -28.41 64.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.999 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' C' ' 51' ' ' LEU . 11.5 tp -74.71 -29.91 61.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.896 0.379 . . . . 10.0 110.125 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 54.4 m -74.39 -29.65 61.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.142 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.45 -36.64 79.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.534 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -68.76 -29.4 67.78 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' C' ' 59' ' ' ASN . 58.8 t30 -66.47 -49.13 67.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.015 -0.993 . . . . 10.0 111.714 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.95 -28.29 65.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.762 0.652 . . . . 10.0 112.762 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -49.93 68.15 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.888 0.375 . . . . 10.0 110.999 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' ARG . . . . . 0.616 HH12 ' HB3' ' C' ' 62' ' ' SER . 0.0 OUTLIER -78.84 -26.92 44.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.934 -0.576 . . . . 10.0 112.018 -178.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' ASN . . . . . 0.5 HD22 ' HA ' ' C' ' 59' ' ' ASN . 0.2 OUTLIER -73.53 -42.58 61.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.313 . . . . 10.0 111.835 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -30.23 61.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.692 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' GLN . . . . . 0.627 HE21 ' HB3' ' C' ' 13' ' ' SER . 55.8 tt0 -68.85 -39.82 79.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.072 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 62' ' ' SER . . . . . 0.616 ' HB3' HH12 ' C' ' 58' ' ' ARG . 34.4 p -71.93 -30.43 65.32 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.577 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -72.15 -40.13 68.26 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.883 0.373 . . . . 10.0 110.611 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' C' ' 68' ' ' PHE . 20.4 p -69.94 -40.66 75.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.84 -44.83 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -78.52 -48.15 15.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.701 1.0 . . . . 10.0 113.701 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 67' ' ' VAL . . . . . 0.413 ' O ' HG13 ' C' ' 71' ' ' ILE . 39.5 t -68.79 -40.87 81.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 113.392 0.886 . . . . 10.0 113.392 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 68' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' C' ' 64' ' ' THR . 50.3 t80 -65.51 -42.39 92.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.646 0.26 . . . . 10.0 111.165 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 69' ' ' LYS . . . . . 0.723 ' NZ ' HD23 ' D' ' 56' ' ' LEU . 7.5 mtpm? -67.29 -32.7 73.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.39 . . . . 10.0 112.044 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.21 -29.64 70.94 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' C' ' 68' ' ' PHE . 76.6 mt -66.72 -43.95 89.78 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.584 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' C' ' 75' ' ' ILE . 29.9 m-20 -68.0 -25.02 65.19 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.221 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.19 -33.93 74.11 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.555 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.76 -29.36 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.672 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' C' ' 72' ' ' ASP . 74.6 mt -69.74 -44.93 78.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.355 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.6 pp -69.34 -24.6 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 120.979 0.419 . . . . 10.0 110.351 179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -69.01 -30.56 68.98 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.64 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.257 178.48 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' SER . . . . . 0.637 ' HB3' HE21 ' D' ' 61' ' ' GLN . 62.2 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.904 0.383 . . . . 10.0 110.601 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.9 -22.99 58.31 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.256 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 15' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' D' ' 15' ' ' LYS . 9.3 tppt? -64.33 -47.67 78.52 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.674 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . 0.451 ' O ' HG22 ' D' ' 20' ' ' VAL . 25.0 m-85 -74.17 -31.96 62.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.633 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.35 -40.51 93.69 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.153 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -68.88 -34.4 75.38 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.799 0.333 . . . . 10.0 111.225 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.15 90.65 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.683 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 20' ' ' VAL . . . . . 0.451 HG22 ' O ' ' D' ' 16' ' ' PHE . 30.3 m -117.21 33.66 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.003 0.43 . . . . 10.0 111.038 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.7 -46.97 86.12 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.539 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -82.56 -3.54 56.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 10.0 111.839 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . 0.473 ' O ' HG23 ' D' ' 27' ' ' VAL . 1.9 tt -72.19 -33.5 67.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.872 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -58.3 -48.03 81.78 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.21 0.319 . . . . 10.0 111.757 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -72.76 -26.69 61.64 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.35 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -71.15 -33.13 69.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.945 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 23' ' ' LEU . 72.6 t -68.7 -43.87 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.615 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 26.1 p -70.15 -30.04 67.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.698 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -76.65 -41.88 44.08 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.571 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.98 -28.8 65.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.899 0.38 . . . . 10.0 110.768 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -72.94 -37.24 67.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.51 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.46 -37.19 74.25 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.591 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' D' ' 37' ' ' LYS . 62.6 mttp -70.92 -35.18 72.16 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.552 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' D' ' 34' ' ' LEU . 0.3 OUTLIER -71.03 -25.0 62.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.444 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.25 65.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.924 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.0 8.96 12.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 10.0 111.848 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' D' ' 33' ' ' LYS . 1.2 mptm? -118.03 101.24 51.84 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.685 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' PRO . . . . . 0.486 ' HB2' ' OE1' ' B' ' 53' ' ' GLU . 22.1 Cg_exo -65.96 -73.01 0.02 OUTLIER 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.994 2.463 . . . . 10.0 113.442 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 5.4 p -110.78 118.87 37.32 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.556 -0.458 . . . . 10.0 111.62 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . 0.672 ' HB3' ' HB2' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -144.63 134.19 11.51 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 113.647 0.98 . . . . 10.0 113.647 179.652 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' PRO . . . . . 0.761 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 40.5 Cg_endo -69.88 -48.45 0.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.496 2.131 . . . . 10.0 111.865 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.02 25.14 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.186 -0.915 . . . . 10.0 112.871 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 1.8 mm? -65.4 -30.56 71.38 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 112.124 0.416 . . . . 10.0 112.124 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.567 HD13 ' H ' ' D' ' 40' ' ' ASP . 5.3 mp -80.55 -29.96 37.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 10.0 110.665 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.11 82.64 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.925 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 46' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' D' ' 50' ' ' LYS . . . -63.13 -39.12 93.74 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.073 -0.967 . . . . 10.0 111.421 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -71.28 -33.9 70.18 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -68.99 -49.12 60.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.759 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 14.8 t -74.46 -49.75 21.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.523 0.934 . . . . 10.0 113.523 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' D' ' 46' ' ' ALA . 12.6 mptt -64.76 -37.0 86.12 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.183 1.179 . . . . 10.0 114.183 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.77 -44.51 73.51 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.769 0.319 . . . . 10.0 111.055 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 99.6 p -72.61 -29.21 63.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.237 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.13 -36.93 85.64 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -65.03 -34.68 79.02 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.912 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 55' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' D' ' 59' ' ' ASN . 19.4 t30 -61.55 -45.03 95.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.585 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 56' ' ' LEU . . . . . 0.723 HD23 ' NZ ' ' C' ' 69' ' ' LYS . 2.5 mm? -73.58 -27.29 61.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.53 -46.83 81.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.703 0.287 . . . . 10.0 110.948 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -32.5 33.56 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.484 0.549 . . . . 10.0 112.484 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 59' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' D' ' 55' ' ' ASN . 0.1 OUTLIER -70.11 -44.74 68.36 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.35 -30.06 63.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.137 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 61' ' ' GLN . . . . . 0.637 HE21 ' HB3' ' D' ' 13' ' ' SER . 57.3 tt0 -68.2 -45.63 72.85 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.486 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 84.8 p -70.86 -24.42 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.823 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.84 -40.87 63.0 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.303 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 22.7 p -67.54 -37.8 83.24 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -69.99 -29.94 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 120.827 0.346 . . . . 10.0 110.682 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 tptp . . . . . 0 CA--C 1.53 0.191 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.612 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.758 0.313 . . . . 10.0 111.253 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.57 136.82 36.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.023 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.2 p -94.84 120.85 64.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.313 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -69.35 146.77 63.79 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.536 2.157 . . . . 10.0 111.688 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.734 ' CH2' ' HG2' ' D' ' 38' ' ' PRO . 0.2 OUTLIER -73.07 111.87 8.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.163 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -94.59 110.01 21.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.729 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.34 136.48 5.33 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.679 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.417 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -66.63 -45.97 77.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.618 0.247 . . . . 10.0 111.303 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.714 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.1 pt? -67.15 -37.35 83.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.038 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -72.01 -29.37 64.13 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.888 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -68.92 -37.8 79.14 Favored 'General case' 0 C--O 1.227 -0.091 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.611 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG11 HG21 ' A' ' 64' ' ' THR . 60.0 t -68.11 -37.08 77.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.394 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.2 m -68.59 -43.7 75.93 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.56 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -22.97 61.05 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.016 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -63.63 -45.8 88.6 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.309 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 20' ' ' VAL . 17.2 m-85 -71.74 -28.87 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -64.93 -40.16 94.61 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -68.67 -27.52 66.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.085 0.469 . . . . 10.0 110.291 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.83 -48.53 10.0 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.744 -0.662 . . . . 10.0 112.995 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 16' ' ' PHE . 18.4 m -101.81 31.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.07 0.396 . . . . 10.0 112.07 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.87 -56.35 22.84 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.417 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -87.0 -5.67 59.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.916 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.2 tm? -70.83 -33.32 70.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.37 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -61.58 -40.83 96.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.549 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.3 p -72.57 -26.62 61.79 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.022 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -73.02 -29.57 63.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.315 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 23' ' ' LEU . 57.7 t -71.5 -43.23 72.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.621 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.5 p -71.18 -31.78 68.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.643 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.88 -39.39 76.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.956 0.408 . . . . 10.0 110.471 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.33 -24.32 50.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.386 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.9 tp -72.6 -43.23 63.62 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.921 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.55 -31.45 68.5 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.679 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -32.43 68.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.411 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -77.96 -31.64 50.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.001 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.78 -25.62 62.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.19 -0.459 . . . . 10.0 112.123 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.22 6.08 49.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 10.0 111.577 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 4.0 mmmp? -127.15 133.56 25.18 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.113 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 31.7 Cg_exo -60.89 -66.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.8 2.333 . . . . 10.0 111.988 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.1 p -152.01 123.85 7.99 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.032 0.444 . . . . 10.0 111.307 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 1.3 p30 -137.95 124.33 13.1 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.458 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -64.02 -29.3 66.19 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.758 2.305 . . . . 10.0 112.948 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.85 -50.89 18.22 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.446 0.536 . . . . 10.0 112.446 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 3.9 mm? -72.39 -24.1 61.2 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -69.96 -43.31 71.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 10.0 110.173 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.76 -32.51 63.84 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.08 -44.87 68.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.143 -0.481 . . . . 10.0 110.937 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 16.4 t80 -70.27 -33.29 71.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.14 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -62.86 -43.3 99.17 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.354 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.3 t -72.71 -38.76 67.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.173 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 70.5 mmtt -72.64 -24.73 61.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 10.0 112.006 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -74.14 -37.11 64.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.833 0.349 . . . . 10.0 110.553 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.2 p -72.19 -29.27 63.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.664 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 50.8 mt-10 -67.7 -36.93 81.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.966 -0.561 . . . . 10.0 109.935 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -71.46 -35.4 70.86 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.557 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.69 -35.41 80.7 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.274 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.65 -32.08 67.53 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.487 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.96 -47.02 66.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.747 0.308 . . . . 10.0 110.932 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -71.0 -33.42 70.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 10.0 112.066 -179.621 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -77.75 -39.69 43.43 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.16 0.43 . . . . 10.0 112.16 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.93 -34.17 77.2 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.619 0.247 . . . . 10.0 111.17 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -71.87 -43.04 66.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.863 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.7 p -71.54 -25.6 62.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.305 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -74.44 -43.06 57.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.097 -0.501 . . . . 10.0 111.352 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.439 HG21 HG11 ' A' ' 12' ' ' VAL . 3.7 p -69.17 -37.79 78.36 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.2 p -74.55 -20.62 17.05 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 120.724 0.297 . . . . 10.0 111.327 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -83.64 -48.89 9.71 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 112.569 0.581 . . . . 10.0 112.569 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 63' ' ' ASN . 17.3 t -70.13 -35.98 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.995 0.426 . . . . 10.0 111.458 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.687 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 9.9 t80 -70.5 -44.73 67.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 10.0 112.206 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -66.12 -35.67 81.11 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -52.83 63.63 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.99 0.424 . . . . 10.0 111.388 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.544 HD11 ' CB ' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -68.19 -34.82 68.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.94 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.508 ' HA ' HG13 ' A' ' 75' ' ' ILE . 9.9 t70 -72.06 -23.05 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 10.0 111.231 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.51 -33.43 66.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.035 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.25 96.18 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.272 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' D' ' 45' ' ' ALA . 0.6 OUTLIER -62.67 -50.47 79.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.275 -0.875 . . . . 10.0 110.589 179.603 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.579 HD13 HD22 ' B' ' 59' ' ' ASN . 0.4 OUTLIER -57.01 -35.33 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 114.746 -1.115 . . . . 10.0 112.303 -179.338 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -72.15 -25.03 61.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.292 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.608 HD22 ' HD3' ' C' ' 66' ' ' LYS . 20.3 t-20 -66.45 -32.67 74.19 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.816 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.983 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 78.5 m-85 -68.6 91.39 0.42 Allowed 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.307 -0.86 . . . . 10.0 109.361 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.401 ' O ' HG22 ' B' ' 67' ' ' VAL . 38.7 ttp180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.07 -0.966 . . . . 10.0 111.243 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.702 0.287 . . . . 10.0 111.044 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.61 139.74 30.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.3 p -99.59 119.29 60.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.028 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.43 140.85 53.94 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.745 2.296 . . . . 10.0 112.239 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -70.05 111.69 5.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.753 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 31.4 m -94.65 110.01 21.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.602 -179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.59 134.6 4.82 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.603 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.425 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.2 OUTLIER -66.61 -45.53 78.85 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.989 0.366 . . . . 10.0 111.989 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.54 ' H ' HD23 ' B' ' 9' ' ' LEU . 0.4 OUTLIER -68.62 -36.61 78.87 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.432 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -72.42 -31.31 65.38 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.772 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.53 -37.93 86.06 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 115.954 -0.566 . . . . 10.0 110.601 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 8' ' ' TYR . 61.3 t -67.16 -36.55 77.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.685 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.0 m -67.78 -47.61 68.66 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.931 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.25 62.6 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.047 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -63.22 -46.9 84.81 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.269 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.596 ' O ' HG22 ' B' ' 20' ' ' VAL . 20.7 m-85 -71.15 -29.13 64.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.444 -0.798 . . . . 10.0 110.589 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -64.71 -42.08 95.53 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 113.164 0.802 . . . . 10.0 113.164 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -63.45 -29.17 70.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.032 0.444 . . . . 10.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.17 -47.96 10.31 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.532 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.596 HG22 ' O ' ' B' ' 16' ' ' PHE . 22.4 m -101.63 31.57 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.835 0.35 . . . . 10.0 111.747 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.9 -47.25 87.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.524 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -93.42 -4.5 51.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.582 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 27' ' ' VAL . 34.2 tp -71.7 -29.86 65.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.621 0.248 . . . . 10.0 111.189 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.93 -41.27 95.88 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.036 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 50.2 p -73.57 -26.72 60.96 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.827 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -73.55 -31.39 63.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.357 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 23' ' ' LEU . 92.4 t -72.61 -40.47 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.762 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 20.2 p -71.79 -30.44 65.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.097 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -38.03 71.81 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.089 0.471 . . . . 10.0 110.111 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.23 -24.41 51.21 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.988 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 65.0 tp -72.9 -42.33 63.68 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.764 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.5 -31.6 68.76 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.411 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -31.13 66.51 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.309 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -76.35 -34.72 58.96 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.752 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.27 -21.23 58.68 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.684 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.97 15.0 25.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.814 0.34 . . . . 10.0 111.059 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 11.0 tptm -137.68 135.58 19.21 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.868 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 35.2 Cg_exo -62.05 -60.52 0.2 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.855 2.37 . . . . 10.0 112.016 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 26.2 p -157.03 125.23 5.59 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.98 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.454 ' CG ' ' HB2' ' B' ' 43' ' ' LEU . 2.7 p30 -137.2 117.84 10.73 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 10.0 112.058 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.23 -28.8 64.24 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.647 2.231 . . . . 10.0 112.557 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.17 -50.52 22.12 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.454 ' HB2' ' CG ' ' B' ' 40' ' ' ASP . 3.8 mm? -72.54 -21.09 61.22 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 40' ' ' ASP . 0.2 OUTLIER -71.18 -42.01 69.61 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 179.124 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.68 -31.14 63.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.726 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.71 -51.16 24.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.869 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -64.45 -33.07 75.02 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.408 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -63.06 -46.05 89.33 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.064 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 38.8 t -70.57 -38.73 74.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.991 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.468 ' HD3' ' OE1' ' B' ' 53' ' ' GLU . 65.2 mmtt -70.61 -27.43 64.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.005 -0.543 . . . . 10.0 112.012 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 51' ' ' LEU . 7.7 mt -74.23 -29.99 61.96 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -70.74 -30.65 67.23 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.935 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.468 ' OE1' ' HD3' ' B' ' 50' ' ' LYS . 31.9 mt-10 -73.87 -36.25 64.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.849 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -69.43 -33.08 72.43 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.535 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 61.2 t30 -70.22 -25.62 63.48 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.798 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -69.88 -42.19 73.78 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.048 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.84 -49.77 66.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.379 -0.828 . . . . 10.0 112.162 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -30.83 67.69 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.241 0.83 . . . . 10.0 113.241 -178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.579 HD22 HD13 ' A' ' 76' ' ' ILE . 2.8 t30 -78.57 -61.04 2.14 Favored 'General case' 0 C--O 1.222 -0.349 0 N-CA-C 113.855 1.057 . . . . 10.0 113.855 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.28 -36.1 60.8 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 117.649 0.204 . . . . 10.0 111.277 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -66.26 -48.24 71.09 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.482 0.182 . . . . 10.0 111.196 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.421 ' HA ' HG12 ' B' ' 65' ' ' VAL . 91.8 p -70.93 -26.38 63.17 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.057 0.456 . . . . 10.0 111.09 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.983 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 7.1 m120 -71.52 -47.24 56.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.64 -0.709 . . . . 10.0 111.169 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 13.7 m -67.82 -40.94 83.74 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.106 0.41 . . . . 10.0 112.106 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' B' ' 62' ' ' SER . 9.9 p -68.08 -22.19 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 120.768 0.318 . . . . 10.0 111.673 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -79.26 -47.89 15.12 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.138 0.421 . . . . 10.0 112.138 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 63' ' ' ASN . 0.4 OUTLIER -72.61 -31.22 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -72.15 -39.18 68.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.237 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -69.08 -34.95 75.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.848 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -52.21 64.76 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.84 -29.65 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 120.78 0.324 . . . . 10.0 111.716 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -72.1 -30.92 65.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.529 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.33 -31.1 69.33 Favored 'General case' 0 N--CA 1.458 -0.063 0 CA-C-N 115.934 -0.576 . . . . 10.0 110.334 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.74 81.8 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.652 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 7.7 mt -67.58 -45.17 85.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.771 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.63 -37.34 77.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.173 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.52 -24.02 63.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.923 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -72.58 -33.8 67.0 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.998 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -75.73 93.68 3.15 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.526 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.181 -0.914 . . . . 10.0 110.875 -179.414 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.722 0.296 . . . . 10.0 111.074 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.6 138.78 33.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 10.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 29.7 p -100.48 126.15 36.81 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.069 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.2 159.8 46.53 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.963 2.442 . . . . 10.0 112.835 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.79 111.27 14.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -94.73 109.43 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.537 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.35 141.53 8.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.039 -0.601 . . . . 10.0 112.079 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . 0.408 ' O ' HG23 ' C' ' 12' ' ' VAL . 0.3 OUTLIER -66.84 -46.16 75.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.744 0.307 . . . . 10.0 111.588 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.656 ' H ' HD23 ' C' ' 9' ' ' LEU . 0.6 OUTLIER -69.63 -35.09 74.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.623 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.33 -31.57 65.77 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.78 -38.02 82.84 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.225 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.568 HG11 HG21 ' C' ' 64' ' ' THR . 50.6 t -67.21 -39.16 82.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.871 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -67.59 -45.74 74.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.091 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.89 -23.48 62.3 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.399 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.32 -35.96 76.47 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.332 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.521 ' O ' HG22 ' C' ' 20' ' ' VAL . 20.8 m-85 -75.26 -29.0 60.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.465 179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -64.98 -38.98 92.76 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.106 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -66.43 -31.54 72.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 10.0 110.951 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.85 -43.22 23.31 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.856 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.521 HG22 ' O ' ' C' ' 16' ' ' PHE . 28.1 m -101.53 31.3 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 111.949 0.352 . . . . 10.0 111.949 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -60.9 -56.43 21.22 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.507 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -89.56 -5.19 57.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.051 0.453 . . . . 10.0 111.008 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.492 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.2 tm? -70.67 -33.91 71.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.251 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -61.77 -41.58 97.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.461 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 38.8 p -71.75 -26.33 62.41 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.083 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -72.98 -29.14 62.83 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.264 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.492 HG23 ' O ' ' C' ' 23' ' ' LEU . 58.6 t -71.2 -44.13 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.451 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 19.3 p -70.88 -31.71 68.46 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.606 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -40.37 76.47 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.915 0.388 . . . . 10.0 110.637 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.11 -24.47 51.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.197 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -71.09 -44.29 65.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.264 -0.425 . . . . 10.0 110.756 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.57 -30.94 67.78 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.84 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.19 -40.32 86.49 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.864 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -77.13 -31.67 55.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.84 -34.17 72.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 10.0 112.242 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.48 23.65 13.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.682 0.623 . . . . 10.0 112.682 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -130.65 119.78 18.4 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.38 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.417 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 84.8 Cg_exo -49.09 -68.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.413 2.742 . . . . 10.0 113.226 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 20.6 p -151.9 124.35 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.145 0.498 . . . . 10.0 112.083 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.424 ' CG ' ' HB2' ' C' ' 43' ' ' LEU . 1.0 OUTLIER -138.44 117.83 9.66 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.173 179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.35 -28.47 63.2 Favored 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 122.683 2.255 . . . . 10.0 112.498 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.12 -48.86 21.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.357 0.503 . . . . 10.0 112.357 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' C' ' 43' ' ' LEU . 3.7 mm? -72.65 -21.72 61.05 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.044 0.387 . . . . 10.0 112.044 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' C' ' 40' ' ' ASP . 0.2 OUTLIER -70.72 -42.57 70.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.164 179.249 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.68 -30.18 62.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.879 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.42 -45.41 62.75 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.051 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -70.9 -33.16 70.27 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.214 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' C' ' 48' ' ' GLN . 7.5 tt0 -61.33 -46.59 89.62 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 34.1 t -69.98 -38.95 76.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -72.48 -26.21 61.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 10.0 112.265 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -42.91 74.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.769 0.319 . . . . 10.0 111.012 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -74.23 -28.63 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.551 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.68 -36.5 78.9 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.069 -0.715 . . . . 10.0 109.069 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -74.92 -36.23 62.17 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.331 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -63.24 -43.41 98.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.146 -0.934 . . . . 10.0 111.072 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.81 -33.89 74.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.427 0.528 . . . . 10.0 112.427 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -47.65 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 10.0 111.284 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' D' ' 42' ' ' ALA . 0.5 OUTLIER -69.17 -37.07 77.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.938 -179.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' C' ' 63' ' ' ASN . 50.5 t30 -72.46 -25.2 61.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.513 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.29 -30.75 62.23 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 116.374 -0.375 . . . . 10.0 110.719 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -72.72 -44.71 61.34 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.993 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . 0.588 ' HA ' HE22 ' D' ' 48' ' ' GLN . 37.2 p -70.78 -23.65 62.44 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' C' ' 59' ' ' ASN . 0.5 OUTLIER -75.95 -50.83 13.85 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.628 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . 0.568 HG21 HG11 ' C' ' 12' ' ' VAL . 18.3 p -64.4 -37.83 88.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.908 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 7.5 p -74.32 -20.88 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.604 -0.271 . . . . 10.0 110.879 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . 0.608 ' HD3' HD22 ' A' ' 78' ' ' ASN . 2.2 ttpm? -82.4 -48.49 11.07 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 112.2 0.445 . . . . 10.0 112.2 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . 0.418 HG22 ' O ' ' C' ' 63' ' ' ASN . 18.0 m -71.93 -35.74 55.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -74.01 -34.66 64.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.226 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.95 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 0.1 OUTLIER -72.63 -35.88 67.91 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.598 0.592 . . . . 10.0 112.598 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -48.96 76.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.69 0.281 . . . . 10.0 111.351 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 15.2 tt -69.11 -36.74 74.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.765 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . 0.419 ' HB3' ' HE2' ' C' ' 69' ' ' LYS . 24.5 t70 -71.12 -27.47 63.61 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.338 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.32 -36.78 79.81 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.51 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.03 -33.46 73.65 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.895 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 71.1 mt -71.34 -46.38 65.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.569 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . 0.52 ' HA ' ' HD2' ' C' ' 79' ' ' PHE . 1.0 OUTLIER -66.99 -30.12 48.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.616 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -76.26 -21.92 55.74 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.093 0.473 . . . . 10.0 109.927 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -70.33 -31.39 68.66 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.619 -0.719 . . . . 10.0 109.246 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . 0.52 ' HD2' ' HA ' ' C' ' 76' ' ' ILE . 55.5 m-85 -71.02 90.85 0.85 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.632 -0.713 . . . . 10.0 111.214 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' C' ' 80' ' ' ARG . 10.1 mtm180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.318 -0.848 . . . . 10.0 111.03 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.76 0.314 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.0 137.46 32.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 22.9 p -99.4 119.26 60.74 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.002 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.73 144.16 64.54 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.748 2.299 . . . . 10.0 112.21 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -71.79 111.47 7.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.585 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 39.8 m -93.6 113.42 25.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.537 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.23 139.94 7.14 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.692 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -47.33 72.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.631 0.253 . . . . 10.0 111.645 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.662 ' H ' HD23 ' D' ' 9' ' ' LEU . 1.5 pt? -71.8 -31.27 66.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.511 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -72.55 -32.08 65.79 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.847 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -67.87 -39.76 83.69 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.452 HG11 HG21 ' D' ' 64' ' ' THR . 52.5 t -64.45 -38.84 83.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.527 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 43.2 m -67.79 -39.4 84.04 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.574 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.87 62.48 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.331 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -66.78 -39.7 87.91 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.571 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.501 ' O ' HG22 ' D' ' 20' ' ' VAL . 23.7 m-85 -75.97 -31.9 59.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.764 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.14 -39.51 94.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.747 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.3 m -74.77 -30.79 61.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.27 -52.15 18.95 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.994 -0.622 . . . . 10.0 112.905 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' D' ' 16' ' ' PHE . 29.0 m -99.47 32.28 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 120.822 0.344 . . . . 10.0 111.888 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.31 -53.73 54.88 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.632 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -85.24 -8.96 58.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.466 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.501 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 2.3 tt -71.39 -30.27 65.92 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.42 -0.355 . . . . 10.0 110.975 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -62.1 -41.08 97.84 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.051 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 61.2 p -73.58 -26.64 60.91 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.933 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -73.83 -30.4 62.67 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.28 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.41 HG23 ' O ' ' D' ' 23' ' ' LEU . 77.4 t -72.34 -41.97 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.777 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -72.09 -28.27 63.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.545 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -39.54 66.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.952 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.14 -25.99 52.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.112 -0.495 . . . . 10.0 111.464 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.401 HD13 ' CZ ' ' D' ' 47' ' ' TYR . 31.8 tp -71.61 -41.95 68.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.774 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.13 -31.01 67.2 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.433 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . 0.456 ' HE2' ' HB2' ' D' ' 33' ' ' LYS . 3.0 tppt? -69.48 -38.53 77.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.368 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.75 -25.5 61.21 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.96 -0.563 . . . . 10.0 111.384 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.06 -48.02 71.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.42 20.86 8.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.748 1.018 . . . . 10.0 113.748 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . 0.414 ' HB3' ' OD1' ' D' ' 40' ' ' ASP . 2.0 mmmp? -138.82 100.51 8.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 178.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.734 ' HG2' ' CH2' ' A' ' 5' ' ' TRP . 73.5 Cg_exo -52.58 -76.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.08 2.52 . . . . 10.0 113.767 -178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . 0.471 ' HB2' HD22 ' A' ' 9' ' ' LEU . 2.5 m -103.67 124.45 48.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.748 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.1 OUTLIER -136.57 119.89 12.13 Favored Pre-proline 0 N--CA 1.448 -0.549 0 N-CA-C 112.886 0.698 . . . . 10.0 112.886 -179.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.687 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 34.5 Cg_endo -66.88 -44.04 6.06 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.201 1.934 . . . . 10.0 110.424 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.595 ' HA ' ' NH1' ' C' ' 58' ' ' ARG . . . -77.75 -56.82 4.2 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 114.698 -1.137 . . . . 10.0 113.876 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.4 -39.91 95.79 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.915 1.08 . . . . 10.0 113.915 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.748 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -69.78 -38.39 76.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . 0.615 ' HB2' HD12 ' A' ' 75' ' ' ILE . . . -73.69 -36.38 65.27 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.801 0.334 . . . . 10.0 111.216 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.86 -41.56 82.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.895 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . 0.401 ' CZ ' HD13 ' D' ' 31' ' ' LEU . 30.2 t80 -69.91 -32.14 70.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.147 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . 0.588 HE22 ' HA ' ' C' ' 62' ' ' SER . 13.1 tt0 -57.8 -47.48 82.45 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.829 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -74.54 -38.62 62.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 10.0 112.114 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 70.3 mmtt -71.87 -29.01 63.92 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tt -74.62 -37.17 62.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.535 0.207 . . . . 10.0 110.53 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 95.2 p -70.07 -28.04 65.11 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.97 -36.97 80.95 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -72.03 -31.38 66.12 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 108.526 -0.916 . . . . 10.0 108.526 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.85 -39.18 90.95 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.49 -1.232 . . . . 10.0 110.542 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' D' ' 56' ' ' LEU . 0.8 OUTLIER -75.2 -29.58 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.272 0.841 . . . . 10.0 113.272 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -63.2 -41.69 99.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.12 0.486 . . . . 10.0 110.328 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' D' ' 58' ' ' ARG . 0.7 OUTLIER -80.23 -33.9 37.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.391 -179.184 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -76.49 -48.14 20.53 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 112.394 0.516 . . . . 10.0 112.394 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.31 -36.73 83.07 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.614 0.227 . . . . 10.0 111.614 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.32 -41.84 84.63 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-O 120.748 0.308 . . . . 10.0 110.684 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 99.2 p -71.51 -24.7 62.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.769 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.458 ' O ' HG23 ' D' ' 67' ' ' VAL . 4.0 m-80 -76.45 -39.93 51.96 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.507 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . 0.452 HG21 HG11 ' D' ' 12' ' ' VAL . 17.5 p -68.53 -37.96 80.44 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 93.1 t -72.76 -28.05 26.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 121.06 0.457 . . . . 10.0 110.197 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -47.91 60.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.75 -0.659 . . . . 10.0 111.452 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.458 HG23 ' O ' ' D' ' 63' ' ' ASN . 40.2 t -69.3 -43.31 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.266 -0.424 . . . . 10.0 111.828 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.07 -46.36 81.49 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.817 0.673 . . . . 10.0 112.817 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' D' ' 69' ' ' LYS . 4.2 mmmt -65.18 -35.36 80.83 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -50.97 65.7 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 112.252 0.464 . . . . 10.0 112.252 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 pt -71.02 -30.3 40.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.59 -0.277 . . . . 10.0 111.627 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.13 -32.28 66.79 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.639 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.36 -34.04 76.47 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.585 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.72 80.6 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.905 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 54.8 mt -69.5 -41.65 80.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.856 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.25 -34.92 72.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.752 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.38 -27.07 65.0 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.861 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -69.08 -35.8 76.9 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.695 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -72.21 94.59 1.58 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.63 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.217 -0.897 . . . . 10.0 110.831 -179.463 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.802 0.334 . . . . 10.0 111.43 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.1 142.64 32.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m -93.84 120.4 65.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.36 146.42 56.41 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.718 2.279 . . . . 10.0 111.992 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.474 ' HH2' ' HZ2' ' B' ' 50' ' ' LYS . 80.7 t90 -71.53 110.8 6.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.168 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -147.44 138.45 23.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.29 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.27 169.3 22.26 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.077 -0.809 . . . . 10.0 111.077 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -66.91 -32.35 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.007 0.403 . . . . 10.0 111.592 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -74.76 -33.33 62.28 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.565 -0.289 . . . . 10.0 110.971 179.028 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.413 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 20.6 m-20 -72.49 -28.6 63.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.26 -39.93 71.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.473 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.618 HG11 HG21 ' A' ' 64' ' ' THR . 73.3 t -69.32 -35.43 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.501 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 m -66.83 -47.76 71.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.034 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -22.99 63.9 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.462 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -64.77 -48.53 74.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.129 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' ' 20' ' ' VAL . 36.8 m-85 -77.44 -27.97 52.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.656 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -63.5 -50.65 68.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 m -71.95 -23.3 61.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.128 0.489 . . . . 10.0 109.876 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.73 -49.38 43.35 Favored Glycine 0 C--N 1.335 0.503 0 CA-C-N 115.545 -0.752 . . . . 10.0 113.068 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 16' ' ' PHE . 27.3 m -111.42 32.12 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.154 0.427 . . . . 10.0 112.154 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -59.12 -47.58 84.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.76 0.314 . . . . 10.0 111.693 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -94.18 2.62 55.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.962 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -69.2 -40.97 77.72 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 179.249 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -58.81 -36.2 74.1 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.972 -0.558 . . . . 10.0 112.104 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -72.93 -27.94 62.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.682 0.277 . . . . 10.0 110.824 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.59 -27.17 60.36 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.765 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 23' ' ' LEU . 46.2 t -68.74 -46.33 79.75 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.365 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -71.37 -25.37 62.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.919 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.27 -44.23 59.66 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.04 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.06 -25.71 59.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.262 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.84 -35.93 67.34 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.722 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.12 -39.8 82.65 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.945 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -25.75 62.57 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.2 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -31.42 63.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.921 -0.581 . . . . 10.0 111.199 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.97 -28.57 63.52 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.79 8.1 45.34 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.806 0.298 . . . . 10.0 111.806 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.482 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 7.0 mptt -124.6 135.88 27.16 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.563 -0.289 . . . . 10.0 111.773 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 17.1 Cg_exo -69.23 -68.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.915 2.41 . . . . 10.0 111.903 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -142.18 124.21 15.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.899 0.381 . . . . 10.0 111.232 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -137.91 117.34 9.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 10.0 111.666 179.291 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.66 -33.01 56.74 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.637 2.224 . . . . 10.0 112.856 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.07 -46.97 31.17 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . 3.7 mm? -72.29 -22.2 61.24 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.9 tp -74.15 -38.51 63.7 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.804 0.335 . . . . 10.0 110.149 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -32.8 63.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.655 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.91 -42.01 70.47 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.974 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -72.3 -33.65 67.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.859 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -41.65 91.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.129 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.48 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 48.9 m -75.3 -45.6 38.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.72 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -65.18 -33.11 75.23 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 113.101 0.778 . . . . 10.0 113.101 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 tp -73.47 -33.3 64.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.026 0.441 . . . . 10.0 110.003 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.3 m -73.84 -33.53 64.15 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.009 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 49' ' ' SER . 42.8 mt-10 -65.37 -37.43 87.01 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.182 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -68.24 -34.12 75.65 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.072 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -68.7 -44.64 73.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.551 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.6 mm? -70.0 -31.18 68.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -46.33 65.17 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.609 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.53 HH22 ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -67.67 -37.06 81.83 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.359 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 91.9 m-20 -71.49 -26.95 62.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.278 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.21 -32.61 63.1 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.892 0.377 . . . . 10.0 110.579 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -71.74 -47.06 56.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.884 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.53 ' HB3' HH22 ' A' ' 58' ' ' ARG . 26.7 p -71.12 -22.3 62.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.811 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.594 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 1.6 t-20 -76.44 -45.59 30.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.618 HG21 HG11 ' A' ' 12' ' ' VAL . 30.0 p -66.95 -37.81 84.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.893 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.06 -40.89 78.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.749 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -68.59 -48.41 64.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.353 0.871 . . . . 10.0 113.353 -178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 71' ' ' ILE . 24.4 t -68.22 -46.29 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 111.839 0.311 . . . . 10.0 111.839 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.745 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 84.7 t80 -60.63 -35.02 75.14 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.28 0.363 . . . . 10.0 111.845 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.482 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -69.87 -35.47 74.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.647 179.227 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -69.92 -32.45 70.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.536 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.652 HG13 ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -67.46 -54.87 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 CA-C-O 121.112 0.482 . . . . 10.0 110.133 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -59.76 -29.95 68.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.898 -1.046 . . . . 10.0 113.255 -178.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' ' 76' ' ' ILE . . . -78.35 -27.69 47.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.656 0.265 . . . . 10.0 111.443 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.0 -39.91 65.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.551 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.422 HD11 ' NH1' ' C' ' 58' ' ' ARG . 5.1 mt -74.07 -38.28 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.275 0.559 . . . . 10.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 1.094 HD12 HD21 ' D' ' 44' ' ' LEU . 0.1 OUTLIER -63.53 -36.48 76.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.176 -0.92 . . . . 10.0 111.686 -179.375 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -84.41 -20.58 31.63 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.332 -0.394 . . . . 10.0 110.765 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.41 -17.41 60.19 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.316 -0.624 . . . . 10.0 109.316 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.611 ' CZ ' HD23 ' D' ' 51' ' ' LEU . 7.1 t80 -88.3 123.23 32.69 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.124 -0.943 . . . . 10.0 108.844 177.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.041 -0.98 . . . . 10.0 111.609 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.72 0.295 . . . . 10.0 111.045 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.1 147.1 24.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 18.7 m -97.08 117.0 66.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.674 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.83 139.72 53.01 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.812 2.341 . . . . 10.0 112.327 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -74.4 112.01 10.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.3 p -160.25 125.57 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 10.0 111.216 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.67 -179.68 19.09 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.943 -0.646 . . . . 10.0 111.927 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.589 ' O ' HG23 ' B' ' 12' ' ' VAL . 62.4 m-85 -67.0 -36.14 81.51 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.794 0.294 . . . . 10.0 111.794 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -34.74 63.53 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.015 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -71.88 -28.11 63.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.297 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' B' ' 15' ' ' LYS . 38.9 t70 -70.06 -41.45 74.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.586 -0.734 . . . . 10.0 109.943 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.606 HG22 HD11 ' D' ' 31' ' ' LEU . 34.4 t -65.09 -36.2 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.974 179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.4 m -64.28 -53.59 46.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.137 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.77 -23.01 64.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.216 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.622 ' HE2' ' HA ' ' D' ' 32' ' ' ASP . 3.2 tptt -62.88 -54.07 44.42 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.615 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.446 ' O ' HG22 ' B' ' 20' ' ' VAL . 41.7 m-85 -73.61 -27.89 61.52 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.587 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -62.05 -52.84 62.33 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.804 1.039 . . . . 10.0 113.804 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -65.69 -23.14 66.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.222 0.534 . . . . 10.0 110.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.6 -52.77 11.36 Favored Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 115.484 -0.78 . . . . 10.0 114.851 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.446 HG22 ' O ' ' B' ' 16' ' ' PHE . 6.8 m -108.86 31.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 111.878 0.325 . . . . 10.0 111.878 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -59.95 -48.18 82.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.956 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -92.28 -0.21 57.41 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.297 0.48 . . . . 10.0 112.297 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 27' ' ' VAL . 31.3 tp -70.03 -29.67 66.77 Favored 'General case' 0 C--O 1.228 -0.071 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.943 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.61 -35.74 81.69 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.976 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 26.4 p -72.71 -26.63 61.66 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.284 -0.416 . . . . 10.0 110.261 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.42 -26.91 60.36 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.753 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 23' ' ' LEU . 29.0 t -69.92 -45.73 75.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.358 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 32.6 p -70.84 -27.96 64.24 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.75 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.57 -43.17 63.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.035 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.13 -26.32 61.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -73.04 -36.29 66.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.822 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -68.84 -39.46 79.93 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.815 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -27.65 63.61 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.152 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 66.0 tp -74.36 -33.6 63.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.011 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.8 -18.77 59.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.603 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.67 5.92 43.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.507 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.8 mptt -124.69 139.62 33.69 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.305 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 17.3 Cg_exo -69.27 -56.59 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.854 2.369 . . . . 10.0 111.806 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.97 126.28 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.097 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.18 107.49 9.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 112.245 0.461 . . . . 10.0 112.245 -179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -65.2 -34.85 43.97 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.457 2.104 . . . . 10.0 112.05 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.24 -46.19 35.34 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.991 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.48 -21.06 61.27 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.2 tp -71.85 -40.07 69.27 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.918 0.39 . . . . 10.0 110.147 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.96 -31.78 63.17 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.26 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.96 -41.8 67.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.813 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -70.48 -33.53 71.34 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.644 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.442 HE21 ' HB3' ' B' ' 48' ' ' GLN . 4.8 tt0 -64.99 -39.14 93.03 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.42 179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 45.9 m -70.57 -47.83 58.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.044 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.474 ' HZ2' ' HH2' ' A' ' 5' ' ' TRP . 57.0 mmtt -66.72 -39.09 87.86 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.703 1.001 . . . . 10.0 113.703 -178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.89 -44.87 79.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.151 0.5 . . . . 10.0 110.745 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.602 ' O ' HD22 ' B' ' 56' ' ' LEU . 46.4 m -71.5 -30.01 65.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.545 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -63.47 -37.03 85.72 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.981 0.419 . . . . 10.0 110.177 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -67.39 -31.79 72.24 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.169 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.41 -34.88 70.74 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.3 -0.863 . . . . 10.0 110.672 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.602 HD22 ' O ' ' B' ' 52' ' ' SER . 0.0 OUTLIER -70.38 -34.28 72.4 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.897 0.38 . . . . 10.0 110.646 179.758 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -47.75 39.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.006 178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' B' ' 58' ' ' ARG . 0.1 OUTLIER -63.15 -39.49 94.82 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 116.029 -0.532 . . . . 10.0 112.107 -179.319 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -71.59 -33.59 69.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.58 85.54 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.873 0.368 . . . . 10.0 110.411 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -66.44 -43.73 84.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.766 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 66.8 p -71.79 -29.41 64.44 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.965 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.456 ' O ' HG23 ' B' ' 67' ' ' VAL . 2.5 m-80 -73.7 -41.76 62.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.814 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 41.3 p -69.31 -41.79 76.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 m -72.51 -27.91 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 N-CA-C 112.902 0.704 . . . . 10.0 112.902 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -75.42 -47.57 26.74 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.674 0.25 . . . . 10.0 111.674 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.674 ' O ' HG13 ' B' ' 71' ' ' ILE . 38.1 t -66.33 -50.64 66.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.736 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . 0.804 ' HA ' HD12 ' B' ' 71' ' ' ILE . 52.8 t80 -57.78 -35.56 70.96 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.08 0.4 . . . . 10.0 112.08 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.501 ' HA ' ' HD3' ' B' ' 69' ' ' LYS . 24.1 mmtm -69.07 -35.12 76.18 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.649 -0.25 . . . . 10.0 111.615 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -75.48 -29.61 59.63 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.056 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' B' ' 68' ' ' PHE . 57.2 mt -66.64 -52.95 40.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.126 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.13 -29.18 68.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.596 -0.729 . . . . 10.0 112.213 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.43 70.54 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.72 0.295 . . . . 10.0 110.754 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.18 -33.24 67.52 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.722 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.645 HG12 ' NH1' ' D' ' 58' ' ' ARG . 8.1 mt -70.67 -39.94 76.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.676 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.7 -38.63 76.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.262 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -76.39 -24.27 54.08 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.636 HD22 ' HB2' ' D' ' 62' ' ' SER . 5.8 m-20 -82.44 -20.29 37.25 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.872 0.368 . . . . 10.0 110.849 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -90.86 118.35 30.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.583 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.246 -0.883 . . . . 10.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 19.6 mmt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.734 0.302 . . . . 10.0 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.06 146.32 29.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.368 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 15.8 m -107.56 116.74 57.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.672 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.69 160.39 43.94 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.825 2.35 . . . . 10.0 112.491 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -76.92 110.95 11.95 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.666 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -145.98 137.68 24.99 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.656 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.97 177.91 19.87 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.84 -0.695 . . . . 10.0 112.076 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -67.29 -33.12 74.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.712 0.292 . . . . 10.0 111.452 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' C' ' 10' ' ' ASP . 0.6 OUTLIER -74.63 -34.4 62.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.894 179.578 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.449 ' N ' ' HG ' ' C' ' 9' ' ' LEU . 17.6 m-20 -72.16 -30.01 64.59 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.404 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.45 -39.18 71.16 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.81 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.475 HG11 HG21 ' C' ' 64' ' ' THR . 84.9 t -71.3 -37.32 65.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.95 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 68.5 m -66.18 -48.67 69.94 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.029 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.01 65.57 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.678 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' C' ' 15' ' ' LYS . 8.0 tppt? -66.02 -45.77 80.29 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.279 -0.418 . . . . 10.0 110.567 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.524 ' O ' HG22 ' C' ' 20' ' ' VAL . 36.5 m-85 -77.75 -28.94 50.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.862 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -64.88 -43.14 93.9 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.328 0.492 . . . . 10.0 112.328 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -77.13 -25.1 51.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.352 . . . . 10.0 111.012 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.57 -42.45 55.16 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.042 -0.599 . . . . 10.0 112.961 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.524 HG22 ' O ' ' C' ' 16' ' ' PHE . 34.8 m -110.33 30.55 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.25 -49.49 77.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.347 -0.388 . . . . 10.0 111.322 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' C' ' 26' ' ' GLN . 23.5 m-80 -97.72 4.09 50.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.588 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.471 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.1 tm? -70.29 -39.85 74.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.52 -34.48 75.6 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.086 -0.506 . . . . 10.0 111.827 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 42.6 p -73.08 -27.34 61.66 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.579 -0.282 . . . . 10.0 110.715 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' C' ' 22' ' ' ASN . 31.7 mm-40 -75.85 -25.43 56.2 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.642 178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.471 HG23 ' O ' ' C' ' 23' ' ' LEU . 64.2 t -69.42 -46.68 75.86 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.051 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.396 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 24.7 p -70.68 -25.46 62.99 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.342 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.477 ' O ' ' HD2' ' C' ' 33' ' ' LYS . 4.8 mm-40 -72.63 -44.83 61.4 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.229 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.46 60.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.96 0.41 . . . . 10.0 110.774 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 60.3 tp -72.83 -36.88 67.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.812 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.63 -34.1 73.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.16 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.621 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 0.1 OUTLIER -70.77 -41.65 71.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.312 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' C' ' 34' ' ' LEU . 0.2 OUTLIER -71.41 -26.38 62.73 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.359 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.5 -35.12 69.81 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.526 0.565 . . . . 10.0 112.526 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.39 24.49 8.66 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.621 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 0.2 OUTLIER -115.13 127.86 26.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.0 178.607 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.21 -74.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.452 2.768 . . . . 10.0 113.897 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 58.4 m -147.92 125.81 11.98 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.476 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.73 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 1.9 m-20 -133.02 110.05 12.92 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.753 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -64.24 -34.54 55.87 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.248 1.966 . . . . 10.0 111.503 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -43.05 52.28 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.752 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.73 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.8 mm? -72.38 -24.09 61.21 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 35.3 tp -72.82 -38.73 67.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.853 0.359 . . . . 10.0 110.583 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.85 -32.57 63.72 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.762 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.78 -36.86 65.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.331 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -72.53 -40.63 66.6 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -68.24 -33.05 73.69 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.828 0.307 . . . . 10.0 111.828 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 68.7 m -76.52 -42.8 41.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.3 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.96 -31.57 69.36 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 51.3 tp -75.21 -34.17 61.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.328 . . . . 10.0 110.606 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 69.6 m -73.38 -31.09 63.71 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.24 -0.436 . . . . 10.0 109.95 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -63.2 -36.22 82.9 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.624 -0.88 . . . . 10.0 108.624 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' C' ' 58' ' ' ARG . 70.9 t80 -67.75 -38.23 83.19 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 115.338 -0.846 . . . . 10.0 109.547 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -66.83 -44.2 81.74 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.414 -0.812 . . . . 10.0 111.652 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.3 mm? -73.68 -38.43 64.91 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.2 0.815 . . . . 10.0 113.2 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . 0.436 ' HD1' ' HB3' ' C' ' 16' ' ' PHE . 0.0 OUTLIER -65.46 -43.06 91.54 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.184 0.516 . . . . 10.0 110.376 179.392 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.488 HH11 ' HB3' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -70.61 -45.26 65.59 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.393 -0.821 . . . . 10.0 111.911 -178.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' C' ' 63' ' ' ASN . 79.3 m-20 -65.06 -23.16 67.1 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.588 0.232 . . . . 10.0 111.193 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.13 -31.3 58.55 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.285 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.606 ' O ' HG23 ' C' ' 65' ' ' VAL . 18.5 mm-40 -67.59 -50.2 59.43 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.426 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . 0.434 ' HB3' HH22 ' C' ' 58' ' ' ARG . 11.0 p -67.74 -26.37 66.1 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.214 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' C' ' 59' ' ' ASN . 1.4 t-20 -72.25 -50.27 28.54 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.768 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . 0.475 HG21 HG11 ' C' ' 12' ' ' VAL . 28.8 p -63.33 -37.27 86.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.648 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.69 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 71.9 t -61.52 -62.6 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.873 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -43.9 79.25 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 114.472 1.286 . . . . 10.0 114.472 -178.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 84.0 t -62.02 -46.02 97.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 121.077 -0.249 . . . . 10.0 111.265 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -68.61 -34.61 76.07 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.502 -0.317 . . . . 10.0 111.733 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.69 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 11.3 mmpt? -70.75 -35.47 72.67 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.508 0.194 . . . . 10.0 111.333 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -71.22 -32.66 69.07 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.58 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 98.4 mt -70.44 -46.45 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.143 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -30.46 70.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.327 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.99 -27.8 49.12 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.471 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.13 -40.26 62.77 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.867 0.365 . . . . 10.0 110.897 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 57.2 mt -74.64 -33.93 33.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.677 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 3.3 tp -70.0 -32.32 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.031 -0.531 . . . . 10.0 112.248 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -83.54 -21.28 32.75 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.844 0.354 . . . . 10.0 111.158 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -78.99 -21.89 46.37 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.114 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -91.97 117.12 29.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.775 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.25 -0.881 . . . . 10.0 111.132 -179.823 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.774 0.321 . . . . 10.0 111.087 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.3 146.56 24.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.187 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 19.0 m -96.6 116.43 66.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.627 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.69 143.66 62.82 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.723 2.282 . . . . 10.0 112.16 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -72.76 111.11 7.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.549 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -147.93 137.04 22.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.021 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.7 170.58 19.89 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.983 -0.627 . . . . 10.0 111.766 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -66.94 -36.53 82.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.665 0.269 . . . . 10.0 111.521 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.533 ' H ' HD23 ' D' ' 9' ' ' LEU . 1.1 pt? -74.81 -32.45 61.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.943 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -72.41 -29.37 63.67 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' D' ' 15' ' ' LYS . 30.3 t70 -70.78 -43.95 67.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.66 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.524 HG11 HG21 ' D' ' 64' ' ' THR . 65.3 t -63.15 -37.89 80.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.846 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -66.95 -43.92 81.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.022 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.59 67.67 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.325 -0.398 . . . . 10.0 112.053 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' D' ' 11' ' ' ASP . 23.2 mmtp -67.94 -42.35 81.1 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.753 0.311 . . . . 10.0 111.162 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.462 ' O ' HG22 ' D' ' 20' ' ' VAL . 29.3 m-85 -78.16 -33.86 50.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.798 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -64.9 -50.55 66.08 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.195 0.442 . . . . 10.0 112.195 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.5 m -77.95 -23.65 48.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.923 0.392 . . . . 10.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.08 -50.57 39.2 Favored Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.927 -0.579 . . . . 10.0 113.327 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.462 HG22 ' O ' ' D' ' 16' ' ' PHE . 35.9 m -110.59 33.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.97 0.414 . . . . 10.0 111.494 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -59.37 -40.15 85.58 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.679 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -91.55 -0.48 57.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.845 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.476 ' O ' HG23 ' D' ' 27' ' ' VAL . 14.7 tp -70.49 -33.75 71.58 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.661 -0.245 . . . . 10.0 110.856 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.7 -36.38 83.46 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.651 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 61.5 p -73.12 -26.82 61.37 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.759 0.314 . . . . 10.0 110.797 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -75.22 -27.87 59.71 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.213 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.476 HG23 ' O ' ' D' ' 23' ' ' LEU . 88.8 t -72.4 -41.95 64.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.611 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.1 p -71.52 -24.89 62.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.565 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.23 -46.72 48.63 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.653 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.06 -30.72 68.05 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.944 0.402 . . . . 10.0 110.932 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.606 HD11 HG22 ' B' ' 12' ' ' VAL . 26.5 tp -68.36 -36.34 79.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . 0.622 ' HA ' ' HE2' ' B' ' 15' ' ' LYS . 32.1 t70 -70.03 -36.36 74.98 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.136 -0.483 . . . . 10.0 111.651 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -25.53 62.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.468 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' D' ' 34' ' ' LEU . 12.0 mt -66.29 -24.1 66.49 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 113.696 0.999 . . . . 10.0 113.696 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' B' ' 15' ' ' LYS . . . -50.88 -55.65 16.05 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.71 22.87 12.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.273 0.842 . . . . 10.0 113.273 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . 0.508 ' HB3' ' OD2' ' D' ' 40' ' ' ASP . 15.5 mmtp -126.28 100.43 29.56 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 114.927 -1.033 . . . . 10.0 108.599 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -62.06 -74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 123.479 2.786 . . . . 10.0 113.46 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -120.35 123.88 44.17 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.801 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 6.6 m-20 -138.6 135.63 18.15 Favored Pre-proline 0 C--O 1.22 -0.483 0 N-CA-C 114.03 1.122 . . . . 10.0 114.03 -177.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.745 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 49.3 Cg_endo -71.4 -46.14 0.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.994 2.463 . . . . 10.0 111.313 176.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.24 -53.42 7.34 Favored 'General case' 0 CA--C 1.527 0.094 0 CA-C-N 115.098 -0.955 . . . . 10.0 113.201 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' D' ' 40' ' ' ASP . 3.4 mm? -59.01 -29.63 67.39 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 1.094 HD21 HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -79.28 -33.97 42.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.923 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . 0.431 ' HB2' ' NE ' ' C' ' 58' ' ' ARG . . . -68.66 -45.64 71.22 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.502 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.81 -46.24 91.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.953 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -71.24 -33.98 70.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.985 0.365 . . . . 10.0 111.985 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . 0.433 HE21 ' HB3' ' D' ' 48' ' ' GLN . 0.0 OUTLIER -65.89 -45.43 82.04 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.929 0.395 . . . . 10.0 111.366 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 28.5 m -76.41 -40.6 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.731 0.641 . . . . 10.0 112.731 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . 0.476 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 63.5 mmtt -68.37 -32.51 72.65 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.008 0.744 . . . . 10.0 113.008 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.611 HD23 ' CZ ' ' A' ' 79' ' ' PHE . 13.0 tp -73.76 -35.37 64.99 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.981 -0.288 . . . . 10.0 110.622 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 55.0 m -74.3 -29.86 61.82 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.464 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -68.24 -36.95 80.27 Favored 'General case' 0 N--CA 1.46 0.053 0 N-CA-C 109.42 -0.585 . . . . 10.0 109.42 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -69.91 -31.37 69.11 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.987 178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -64.77 -55.09 21.9 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.357 -0.838 . . . . 10.0 112.459 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.28 -27.22 63.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.206 0.817 . . . . 10.0 113.206 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -44.99 95.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 10.0 109.875 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . 0.711 HH22 ' HB3' ' D' ' 62' ' ' SER . 0.0 OUTLIER -75.58 -39.33 58.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.796 -179.549 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' D' ' 63' ' ' ASN . 96.3 m-20 -67.05 -29.5 69.32 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 111.789 0.292 . . . . 10.0 111.789 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.13 -30.17 55.03 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.544 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -69.44 -48.52 60.63 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.887 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . 0.711 ' HB3' HH22 ' D' ' 58' ' ' ARG . 39.1 p -71.32 -20.12 62.23 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.751 -0.659 . . . . 10.0 111.728 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' D' ' 59' ' ' ASN . 14.6 t-20 -76.25 -47.03 25.32 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . 0.524 HG21 HG11 ' D' ' 12' ' ' VAL . 21.0 p -64.25 -37.94 89.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.46 -0.336 . . . . 10.0 111.693 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' D' ' 69' ' ' LYS . 60.1 t -69.43 -34.2 61.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.475 179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -70.11 -47.57 61.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.871 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 43.6 t -70.19 -48.7 60.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.43 -36.52 76.05 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' D' ' 65' ' ' VAL . 0.2 OUTLIER -72.7 -35.27 67.59 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.591 0.219 . . . . 10.0 111.591 179.375 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -68.2 -39.84 82.32 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 24.1 pt -73.53 -35.02 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 N-CA-C 111.983 0.364 . . . . 10.0 111.983 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.3 -33.7 69.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.506 -0.316 . . . . 10.0 110.959 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.4 -25.12 54.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.509 . . . . 10.0 111.068 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.12 -36.72 69.5 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.908 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 56.4 mt -74.62 -34.19 34.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.368 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 mp -68.83 -36.03 72.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.816 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -81.16 -20.88 40.32 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 111.779 0.289 . . . . 10.0 111.779 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -82.78 -19.55 37.56 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.929 0.395 . . . . 10.0 110.856 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -83.84 124.52 31.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.115 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.203 -0.904 . . . . 10.0 111.019 179.692 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.855 0.359 . . . . 10.0 111.147 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.1 148.34 37.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.089 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -106.7 115.13 61.03 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.9 155.64 53.11 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.693 2.262 . . . . 10.0 112.358 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.6 t90 -68.39 116.77 9.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.795 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -110.33 152.57 26.05 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.93 143.37 8.88 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 120.703 -0.76 . . . . 10.0 113.737 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' A' ' 12' ' ' VAL . 15.9 m-85 -67.4 -33.05 74.38 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.869 0.366 . . . . 10.0 110.797 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.743 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -65.23 -38.36 90.13 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.879 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -73.03 -28.58 62.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.907 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.64 -36.64 78.88 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.539 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 8' ' ' TYR . 34.3 t -71.38 -37.13 63.85 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-O 120.857 0.36 . . . . 10.0 110.635 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -67.47 -42.3 83.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.497 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.51 -22.88 62.58 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.912 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 15' ' ' LYS . 6.2 tppt? -63.28 -49.32 74.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.569 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.454 ' O ' HG22 ' A' ' 20' ' ' VAL . 26.5 m-85 -67.48 -31.68 71.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.941 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -64.99 -38.42 90.9 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 m -58.62 -36.9 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 10.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.58 -37.18 35.87 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.087 -0.578 . . . . 10.0 113.172 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 16' ' ' PHE . 32.7 m -98.36 26.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.818 0.303 . . . . 10.0 111.818 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.25 -56.1 25.69 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.861 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -86.29 -8.17 57.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.388 . . . . 10.0 111.274 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.537 HD11 ' HD2' ' A' ' 50' ' ' LYS . 56.9 tp -70.94 -39.2 72.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.418 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -66.43 -30.37 70.72 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.904 0.383 . . . . 10.0 110.857 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -72.86 -28.43 62.51 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.989 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -76.98 -24.5 52.26 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.184 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 23' ' ' LEU . 48.7 t -71.09 -45.51 71.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.112 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.7 p -72.84 -29.07 62.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.425 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -37.19 65.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.763 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.04 -24.56 52.03 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.745 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.6 tp -71.23 -44.86 64.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.374 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.97 -32.21 69.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.689 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -70.32 -38.44 74.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.174 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.499 HD22 ' HA ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -71.08 -26.26 62.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.208 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.59 -22.68 61.69 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.661 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.1 10.78 25.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.374 -0.376 . . . . 10.0 111.196 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 42.0 mmtm -124.64 123.32 25.71 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.392 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.54 -68.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.929 2.42 . . . . 10.0 111.726 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 m -129.84 123.08 29.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.082 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.766 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -138.27 103.58 7.98 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.402 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 27.1 Cg_endo -63.92 -39.25 33.83 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.366 2.044 . . . . 10.0 112.09 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.56 -42.7 51.57 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.207 -0.452 . . . . 10.0 112.105 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.766 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 3.3 mm? -70.56 -26.09 63.38 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 112.239 0.459 . . . . 10.0 112.239 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.6 tp -77.19 -32.6 56.19 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.681 0.277 . . . . 10.0 110.645 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.06 -37.61 78.63 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.898 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 50' ' ' LYS . . . -73.44 -38.03 65.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.661 -0.699 . . . . 10.0 110.583 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -66.62 -42.61 86.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.45 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -68.01 -37.88 81.93 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.219 0.452 . . . . 10.0 112.219 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t -73.16 -41.63 63.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.481 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.537 ' HD2' HD11 ' A' ' 23' ' ' LEU . 74.2 mmtt -74.23 -24.89 59.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.379 0.511 . . . . 10.0 112.379 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 tp -73.91 -38.27 64.38 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.889 0.376 . . . . 10.0 110.155 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.3 p -72.6 -29.48 63.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.506 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.23 -36.11 78.99 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.913 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.1 -34.35 77.86 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.937 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -64.9 -37.96 89.38 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.089 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.9 mm? -70.4 -30.96 67.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.558 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.89 -50.76 46.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 10.0 111.901 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.496 HH12 ' HB3' ' A' ' 62' ' ' SER . 0.0 OUTLIER -69.73 -36.94 76.29 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.031 0.382 . . . . 10.0 112.031 -179.192 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -71.42 -37.75 71.46 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.088 0.403 . . . . 10.0 112.088 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.94 76.08 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.688 0.28 . . . . 10.0 111.257 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -69.87 -43.74 71.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.301 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.496 ' HB3' HH12 ' A' ' 58' ' ' ARG . 77.0 p -71.03 -25.26 62.58 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 67' ' ' VAL . 86.8 m-20 -76.71 -41.3 45.76 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.732 0.271 . . . . 10.0 111.732 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 p -70.25 -36.68 74.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.951 0.352 . . . . 10.0 111.951 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.0 p -72.74 -28.63 27.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -74.98 -47.94 26.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.364 -0.38 . . . . 10.0 111.822 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.5 t -64.18 -50.07 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.141 0 N-CA-C 111.883 0.327 . . . . 10.0 111.883 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 71' ' ' ILE . 5.8 m-85 -55.83 -34.72 65.65 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.429 0.456 . . . . 10.0 112.143 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HE3' ' OG ' ' D' ' 39' ' ' SER . 0.1 OUTLIER -68.86 -40.64 79.19 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.578 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -66.49 -35.2 79.67 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.546 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.662 HG22 HD11 ' A' ' 75' ' ' ILE . 36.7 mt -60.5 -55.22 25.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -61.27 -33.63 73.87 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.18 -0.918 . . . . 10.0 112.789 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.94 -45.45 74.87 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.133 0.42 . . . . 10.0 112.133 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.9 -46.76 33.77 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.67 HG22 HD23 ' D' ' 44' ' ' LEU . 26.3 mt -59.98 -50.98 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.594 -179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.59 ' CD1' HD21 ' D' ' 44' ' ' LEU . 4.4 mm -57.14 -38.54 61.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.266 -0.879 . . . . 10.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -58.12 -32.13 67.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.995 -0.548 . . . . 10.0 112.128 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -91.19 -25.24 19.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.505 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.636 ' HA ' ' NE2' ' D' ' 48' ' ' GLN . 0.0 OUTLIER -73.86 154.96 39.24 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 115.873 -0.603 . . . . 10.0 110.59 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.997 ' HD3' HD13 ' D' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 C-N-CA 120.347 -0.541 . . . . 10.0 109.656 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.797 0.332 . . . . 10.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.1 143.26 45.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.915 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 23.4 m -106.34 111.67 64.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.12 154.01 57.22 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.632 2.221 . . . . 10.0 112.045 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -69.53 117.86 11.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -108.87 152.27 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.241 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.47 141.06 7.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.639 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -66.91 -36.49 82.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.708 0.29 . . . . 10.0 111.706 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -36.4 78.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.203 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.82 -27.52 62.97 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.883 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.73 -40.09 76.41 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.549 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.84 HG11 HG21 ' B' ' 64' ' ' THR . 7.4 t -67.14 -35.58 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.991 0.424 . . . . 10.0 110.871 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -69.78 -32.34 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.169 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -37.05 71.9 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.613 -0.721 . . . . 10.0 112.5 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -68.48 -34.84 76.63 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.416 0.524 . . . . 10.0 112.416 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.456 ' O ' HG22 ' B' ' 20' ' ' VAL . 12.9 m-85 -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.466 -0.568 . . . . 10.0 109.466 178.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.45 -39.04 88.63 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.17 -0.923 . . . . 10.0 113.264 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 15.7 m -54.71 -35.76 64.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.921 0.391 . . . . 10.0 111.303 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.58 -45.98 12.6 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.975 -0.631 . . . . 10.0 113.521 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.456 HG22 ' O ' ' B' ' 16' ' ' PHE . 35.7 m -94.6 29.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.94 0.4 . . . . 10.0 111.247 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -61.43 -54.44 43.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.939 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -84.78 -9.87 57.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.086 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.513 ' O ' HG23 ' B' ' 27' ' ' VAL . 37.2 tp -71.03 -34.7 71.54 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.204 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.04 -33.0 73.76 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.969 0.414 . . . . 10.0 110.795 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -72.67 -27.11 61.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.074 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -77.11 -25.95 52.73 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.217 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 23' ' ' LEU . 61.7 t -71.85 -43.69 68.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.881 0.372 . . . . 10.0 110.083 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 23.8 p -73.37 -27.71 61.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.058 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.94 -36.05 62.13 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.108 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.14 -24.42 51.63 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.974 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.5 tp -71.7 -44.83 63.52 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.157 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.83 -31.75 68.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.485 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' B' ' 33' ' ' LYS . 0.4 OUTLIER -71.06 -36.51 72.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.093 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.3 OUTLIER -71.04 -28.17 64.19 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.908 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.56 -17.63 60.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.195 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.83 6.22 29.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.3 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 39.9 mmtm -121.96 130.9 24.54 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.158 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 24.0 Cg_exo -65.58 -63.67 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.75 2.3 . . . . 10.0 111.128 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.7 m -142.77 123.72 14.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.905 -0.589 . . . . 10.0 109.883 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.741 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 0.3 OUTLIER -137.35 103.22 8.73 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.46 -179.733 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 26.8 Cg_endo -64.04 -35.86 51.69 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.461 2.107 . . . . 10.0 112.03 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.59 -42.22 59.08 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.447 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.741 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.5 mm? -72.53 -22.91 60.95 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.668 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 34.2 tp -79.08 -35.76 41.9 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.665 0.269 . . . . 10.0 110.406 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.81 -38.79 80.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.056 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.66 -33.49 64.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.679 -0.691 . . . . 10.0 110.825 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -71.96 -42.4 66.62 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.191 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -68.37 -35.64 78.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.719 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.484 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 46.6 t -72.11 -42.39 66.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.34 -0.391 . . . . 10.0 111.206 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -79.69 -18.97 50.07 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.897 0.703 . . . . 10.0 112.897 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 45.5 tp -74.04 -40.15 63.04 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.424 -0.954 . . . . 10.0 108.424 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.6 p -74.03 -27.67 61.05 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.883 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.659 ' O ' ' HG ' ' B' ' 56' ' ' LEU . 32.6 mt-10 -66.89 -36.65 82.77 Favored 'General case' 0 N--CA 1.461 0.08 0 CA-C-N 115.945 -0.57 . . . . 10.0 109.658 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.8 -32.16 73.53 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 108.515 -0.92 . . . . 10.0 108.515 177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -68.63 -36.02 78.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.193 -0.912 . . . . 10.0 110.75 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' B' ' 53' ' ' GLU . 3.8 pp -72.6 -28.59 62.88 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.638 -0.425 . . . . 10.0 111.271 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -55.63 5.99 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.995 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 58' ' ' ARG . 0.3 OUTLIER -64.58 -38.02 89.56 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.073 0.397 . . . . 10.0 112.073 -178.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -76.85 -18.92 58.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.836 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.67 -53.48 11.64 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.5 -0.926 . . . . 10.0 108.5 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.404 ' O ' HG12 ' B' ' 65' ' ' VAL . 1.5 tt0 -58.86 -32.42 69.44 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.295 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 43.7 t -67.12 -43.14 83.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.057 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.552 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 81.0 m-20 -76.01 -31.09 58.74 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.84 HG21 HG11 ' B' ' 12' ' ' VAL . 2.2 m -64.27 -50.87 66.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.914 0.388 . . . . 10.0 111.256 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' B' ' 69' ' ' LYS . 11.3 p -72.01 -23.63 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.63 -0.713 . . . . 10.0 112.0 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -69.8 -50.92 38.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.014 0.746 . . . . 10.0 113.014 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -80.87 -34.14 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' B' ' 71' ' ' ILE . 2.5 t80 -62.93 -32.43 73.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 10.0 110.013 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' B' ' 65' ' ' VAL . 6.1 tptm -73.2 -38.66 66.03 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.646 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -68.26 -34.62 76.53 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' B' ' 68' ' ' PHE . 48.8 mt -62.58 -43.42 98.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 108.951 -0.759 . . . . 10.0 108.951 178.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.717 ' HA ' HD12 ' B' ' 75' ' ' ILE . 18.9 t70 -72.1 -24.08 61.43 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.331 -0.85 . . . . 10.0 112.169 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.93 98.99 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.861 0.363 . . . . 10.0 110.546 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.77 -37.0 79.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.228 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' B' ' 72' ' ' ASP . 95.7 mt -60.42 -51.09 77.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.313 -0.858 . . . . 10.0 111.828 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 61.9 mt -61.19 -31.34 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -68.64 -32.54 72.48 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.832 0.308 . . . . 10.0 111.832 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -91.02 -21.04 21.46 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.874 0.368 . . . . 10.0 111.37 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.94 146.92 23.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.269 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.466 -0.778 . . . . 10.0 111.405 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.863 0.363 . . . . 10.0 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.52 147.47 41.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 23.4 m -106.51 115.72 60.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.092 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -74.5 162.7 37.6 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.766 2.311 . . . . 10.0 112.104 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -71.43 117.98 13.66 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.518 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -111.43 147.48 35.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.813 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.43 146.61 13.87 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.717 -0.754 . . . . 10.0 112.563 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . 0.412 ' O ' HG23 ' C' ' 12' ' ' VAL . 7.5 m-85 -67.07 -31.33 71.76 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.927 0.343 . . . . 10.0 111.927 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.583 ' H ' HD23 ' C' ' 9' ' ' LEU . 0.6 OUTLIER -69.18 -35.1 75.92 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.383 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.23 -27.83 62.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.685 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -70.34 -38.53 74.86 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.545 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.468 ' O ' ' HB2' ' C' ' 15' ' ' LYS . 21.6 t -67.91 -40.59 83.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.902 0.382 . . . . 10.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -64.56 -36.92 85.77 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.098 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.48 -23.41 61.03 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.127 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' C' ' 12' ' ' VAL . 37.9 mmtm -62.65 -47.73 82.41 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.952 0.405 . . . . 10.0 110.192 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.411 ' O ' HG22 ' C' ' 20' ' ' VAL . 31.6 m-85 -70.19 -30.66 67.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.245 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -64.8 -38.5 91.21 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 10.6 m -60.45 -38.96 85.86 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.823 0.344 . . . . 10.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.15 -33.16 50.43 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.01 -0.615 . . . . 10.0 113.012 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.411 HG22 ' O ' ' C' ' 16' ' ' PHE . 18.5 m -100.29 23.67 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.058 0.392 . . . . 10.0 112.058 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.49 -55.96 28.06 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.411 -0.358 . . . . 10.0 111.636 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -89.21 -7.56 55.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.302 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.506 HD11 ' HD2' ' C' ' 50' ' ' LYS . 42.3 tp -70.9 -40.57 72.1 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -66.01 -29.55 69.94 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.861 0.362 . . . . 10.0 111.055 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.3 m -71.77 -30.74 65.88 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.7 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -75.8 -25.21 56.18 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.999 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.463 HG23 ' O ' ' C' ' 23' ' ' LEU . 82.0 t -68.47 -47.11 78.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.321 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 23.7 p -72.91 -27.94 62.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.647 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.85 -39.11 64.23 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.096 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.83 -24.11 55.8 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.713 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 tp -73.04 -44.23 61.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.499 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.87 -31.77 68.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.809 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' C' ' 33' ' ' LYS . 0.4 OUTLIER -68.52 -48.7 63.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.57 . . . . 10.0 111.584 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.63 -25.69 65.86 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.495 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.96 -34.78 66.0 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.92 23.76 11.46 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.771 0.656 . . . . 10.0 112.771 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.446 ' HA ' ' HD2' ' C' ' 38' ' ' PRO . 37.5 mmtm -118.05 111.02 39.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.514 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' C' ' 37' ' ' LYS . 10.1 Cg_endo -53.66 -65.19 0.13 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.204 2.602 . . . . 10.0 112.704 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -137.65 122.01 18.24 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 121.017 0.437 . . . . 10.0 110.907 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.756 ' HB3' ' HB2' ' C' ' 43' ' ' LEU . 0.6 OUTLIER -139.14 101.75 7.58 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.665 179.467 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -63.31 -35.42 62.52 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.434 2.089 . . . . 10.0 112.114 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -40.9 57.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.539 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.756 ' HB2' ' HB3' ' C' ' 40' ' ' ASP . 3.8 mm? -72.36 -26.64 61.98 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.181 0.437 . . . . 10.0 112.181 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 tp -76.16 -34.26 59.38 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.66 0.267 . . . . 10.0 110.887 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.11 73.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.22 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.51 -33.67 64.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.855 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -69.2 -44.11 72.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.481 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -69.33 -33.23 72.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.819 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 45.0 t -74.55 -42.03 59.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.508 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . 0.506 ' HD2' HD11 ' C' ' 23' ' ' LEU . 73.6 mmtt -75.09 -26.52 59.36 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 tp -74.34 -37.71 63.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.702 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 94.3 p -70.24 -30.07 67.04 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.157 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -67.83 -35.97 79.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.771 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -64.23 -30.87 71.91 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.58 -0.736 . . . . 10.0 109.457 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -69.26 -42.51 75.47 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.214 -0.903 . . . . 10.0 111.616 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.0 OUTLIER -72.11 -29.52 64.16 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.727 0.64 . . . . 10.0 112.727 -179.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -51.34 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.057 0.456 . . . . 10.0 111.127 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.762 ' NH2' ' HA ' ' D' ' 45' ' ' ALA . 0.0 OUTLIER -70.37 -35.03 73.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.017 -178.324 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -69.98 -30.03 67.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.697 0.284 . . . . 10.0 110.657 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.51 73.44 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.307 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.82 -49.49 68.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.382 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . 0.694 ' HB3' HH12 ' C' ' 58' ' ' ARG . 21.8 p -66.15 -25.84 67.15 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.661 0.267 . . . . 10.0 111.404 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -73.11 -50.43 22.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.161 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 19.9 p -65.98 -37.53 86.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.519 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.622 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 25.2 t -61.72 -45.55 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.788 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -74.85 -43.1 56.31 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.1 0.778 . . . . 10.0 113.1 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.75 -56.4 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 112.188 0.44 . . . . 10.0 112.188 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -63.87 -24.52 67.77 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.704 0.288 . . . . 10.0 111.635 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.622 ' HB2' ' O ' ' C' ' 65' ' ' VAL . 0.0 OUTLIER -72.73 -37.93 67.6 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 179.714 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -71.87 -38.23 70.07 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.845 0.355 . . . . 10.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.68 -47.66 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.15 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -67.91 -27.98 67.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.834 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.94 98.84 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.715 0.293 . . . . 10.0 111.314 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.77 -30.09 62.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.306 -0.406 . . . . 10.0 111.23 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 86.7 mt -68.44 -52.82 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.122 -0.49 . . . . 10.0 112.048 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . 0.429 ' HA ' ' HB3' ' C' ' 79' ' ' PHE . 1.8 pp -66.95 -26.1 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -70.92 -31.94 68.71 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.814 0.34 . . . . 10.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -92.2 -14.83 28.43 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.09 0.472 . . . . 10.0 110.188 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . 0.429 ' HB3' ' HA ' ' C' ' 76' ' ' ILE . 0.0 OUTLIER -85.74 141.91 29.37 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.001 -179.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.586 -0.721 . . . . 10.0 110.928 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.74 0.305 . . . . 10.0 111.075 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.95 143.47 45.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.947 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 23.5 m -106.4 111.53 64.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.792 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.38 154.98 60.8 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.629 2.219 . . . . 10.0 111.977 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -70.41 115.8 10.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.108 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -107.35 152.14 24.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.28 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.15 141.92 8.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.348 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -66.82 -33.35 75.42 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.576 ' H ' HD23 ' D' ' 9' ' ' LEU . 0.6 OUTLIER -68.31 -34.99 77.13 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.165 179.719 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.51 -28.42 62.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.027 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.42 -36.46 76.73 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.341 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 46.1 t -69.13 -42.4 81.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.742 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t -65.45 -43.2 91.13 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.058 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.0 64.19 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.671 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -68.09 -39.3 82.9 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.606 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.469 ' O ' HG22 ' D' ' 20' ' ' VAL . 26.7 m-85 -71.76 -33.43 68.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.274 178.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.82 -38.46 91.04 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.704 -0.68 . . . . 10.0 112.213 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -59.21 -37.55 77.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.293 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.69 -36.36 43.15 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.947 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.469 HG22 ' O ' ' D' ' 16' ' ' PHE . 33.9 m -99.39 28.73 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 120.75 0.31 . . . . 10.0 111.751 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -60.92 -53.18 60.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.385 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -88.0 -7.87 56.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.293 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.458 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.2 OUTLIER -71.02 -42.52 69.44 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.61 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -65.8 -29.82 70.36 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 5.0 m -73.62 -29.82 62.6 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.539 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -77.32 -24.79 50.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.155 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.458 HG23 ' O ' ' D' ' 23' ' ' LEU . 96.5 t -73.44 -40.82 56.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.847 0.356 . . . . 10.0 110.11 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 18.7 p -75.96 -26.53 56.9 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.177 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -37.18 61.84 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.341 179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.27 -23.83 51.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.255 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.64 -49.24 66.85 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.349 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -70.95 -31.27 67.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.665 -0.698 . . . . 10.0 111.063 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -36.21 76.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.402 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.551 HD21 HD12 ' D' ' 44' ' ' LEU . 0.2 OUTLIER -72.58 -26.3 61.66 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.994 0.426 . . . . 10.0 110.206 179.349 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.22 -25.67 68.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.652 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.48 24.67 9.78 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 113.402 0.89 . . . . 10.0 113.402 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -143.69 109.2 5.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.659 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -73.79 -72.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.299 2.0 . . . . 10.0 111.796 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . 0.577 ' OG ' ' HE3' ' A' ' 69' ' ' LYS . 9.6 m -83.38 123.32 29.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.68 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 8.7 m-20 -137.85 89.45 15.05 Favored Pre-proline 0 N--CA 1.452 -0.328 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.509 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 24.1 Cg_endo -65.83 -47.67 3.6 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 121.451 1.434 . . . . 10.0 111.608 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.01 -53.28 6.56 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.49 1.293 . . . . 10.0 114.49 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -33.49 70.19 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.68 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.9 OUTLIER -67.02 -29.47 69.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 111.872 0.323 . . . . 10.0 111.872 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . 0.762 ' HA ' ' NH2' ' C' ' 58' ' ' ARG . . . -58.04 -39.35 78.17 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.499 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.57 -45.19 54.79 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.416 -0.811 . . . . 10.0 110.806 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -59.7 -49.94 75.79 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . 0.636 ' NE2' ' HA ' ' A' ' 79' ' ' PHE . 0.0 OUTLIER -61.87 -46.03 91.17 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.841 0.682 . . . . 10.0 112.841 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 22.6 t -72.88 -38.99 66.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -76.94 -23.17 52.42 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.671 0.619 . . . . 10.0 112.671 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.997 HD13 ' HD3' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -68.08 -51.11 50.24 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.424 -0.954 . . . . 10.0 108.424 177.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . 0.519 ' N ' ' HG ' ' D' ' 51' ' ' LEU . 60.7 p -62.42 -30.33 71.15 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 114.771 -1.104 . . . . 10.0 110.998 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.77 -36.48 80.57 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.617 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . 0.46 ' HB3' ' O ' ' D' ' 51' ' ' LEU . 34.7 t80 -62.68 -33.2 74.59 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.311 -0.859 . . . . 10.0 109.854 178.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -60.58 -47.62 85.41 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.205 -0.907 . . . . 10.0 112.249 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' D' ' 56' ' ' LEU . 1.5 mm? -71.27 -28.01 63.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.565 0.95 . . . . 10.0 113.565 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -58.47 -50.95 71.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.829 0.347 . . . . 10.0 110.62 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' D' ' 58' ' ' ARG . 5.2 mmm180 -81.1 -36.39 30.44 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.434 0.901 . . . . 10.0 113.434 -178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.06 -51.49 31.58 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.62 -32.85 74.45 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.787 -0.188 . . . . 10.0 111.335 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . 0.482 ' O ' HG23 ' D' ' 65' ' ' VAL . 1.5 tm0? -65.79 -44.63 85.18 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 120.596 0.236 . . . . 10.0 110.536 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . 0.405 ' HB3' HH12 ' D' ' 58' ' ' ARG . 84.2 p -70.45 -25.84 63.37 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.952 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.578 ' O ' HG23 ' D' ' 67' ' ' VAL . 94.5 m-20 -70.98 -48.18 54.7 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.823 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 35.8 p -64.73 -37.15 86.61 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.843 0.682 . . . . 10.0 112.843 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . 0.482 HG23 ' O ' ' D' ' 61' ' ' GLN . 77.3 t -62.27 -38.4 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.067 0.46 . . . . 10.0 110.065 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -68.77 -31.83 71.13 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.761 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.578 HG23 ' O ' ' D' ' 63' ' ' ASN . 21.5 t -63.09 -57.9 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.832 0.349 . . . . 10.0 111.697 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . 0.585 ' HA ' HG22 ' D' ' 71' ' ' ILE . 72.6 m-85 -63.65 -27.41 69.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.729 -0.669 . . . . 10.0 112.711 -179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.529 ' HA ' ' HD3' ' D' ' 69' ' ' LYS . 24.6 mmtp -72.96 -38.12 66.84 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -77.22 -40.49 44.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.781 0.324 . . . . 10.0 111.358 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . 0.585 HG22 ' HA ' ' D' ' 68' ' ' PHE . 15.0 tt -65.15 -40.72 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.33 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -73.4 -24.8 60.33 Favored 'General case' 0 C--N 1.335 -0.036 0 CA-C-N 116.55 -0.295 . . . . 10.0 111.524 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.62 93.61 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.836 0.35 . . . . 10.0 110.855 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.97 -38.38 57.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.376 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 78.3 mt -65.41 -48.96 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.68 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.76 -27.72 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.583 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -66.03 -33.77 76.57 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.765 0.317 . . . . 10.0 110.711 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -91.95 -18.58 23.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.889 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.49 146.5 26.91 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.948 -0.569 . . . . 10.0 111.315 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.204 -0.903 . . . . 10.0 111.364 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.742 0.306 . . . . 10.0 111.42 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.46 144.66 31.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.019 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 m -95.75 119.03 65.63 Favored Pre-proline 0 CA--C 1.531 0.224 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.606 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.79 143.2 45.26 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.973 2.449 . . . . 10.0 113.26 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -73.31 111.03 8.06 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.895 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 p -157.32 142.79 17.3 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.989 0.423 . . . . 10.0 111.702 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' H ' ' HB3' ' A' ' 10' ' ' ASP . . . -162.21 -171.93 28.98 Favored Glycine 0 C--N 1.332 0.318 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.71 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.416 ' O ' HG23 ' A' ' 12' ' ' VAL . 57.4 m-85 -67.45 -38.04 83.87 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 117.11 0.455 . . . . 10.0 110.897 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.71 -38.61 83.83 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.079 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.51 ' HB3' ' H ' ' A' ' 7' ' ' GLY . 37.0 t70 -72.53 -31.53 65.39 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.941 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.03 -36.84 80.59 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.59 HG22 HD21 ' C' ' 31' ' ' LEU . 86.6 t -69.3 -41.23 80.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.29 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.7 m -67.08 -40.88 87.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.024 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.92 -24.46 59.68 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.957 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.855 ' HE3' ' HA ' ' C' ' 32' ' ' ASP . 15.7 tptp -67.36 -41.57 84.87 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.327 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.508 ' O ' HG22 ' A' ' 20' ' ' VAL . 34.6 m-85 -72.13 -32.0 66.52 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.026 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -65.46 -47.5 75.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.375 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -70.63 -23.55 62.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.909 0.385 . . . . 10.0 110.328 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.46 -36.26 62.9 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 115.925 -0.58 . . . . 10.0 112.778 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.604 HG12 HD21 ' A' ' 23' ' ' LEU . 35.2 m -119.86 31.01 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 111.807 0.299 . . . . 10.0 111.807 -179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -75.14 1.53 13.05 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -114.7 -40.79 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.817 0.303 . . . . 10.0 111.817 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.6 pp -69.74 -21.61 63.44 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 112.886 0.699 . . . . 10.0 112.886 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.8 -50.39 73.44 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.864 0.364 . . . . 10.0 110.97 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 t -70.99 -27.2 63.53 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.29 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -68.15 -28.93 67.72 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.173 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 23' ' ' LEU . 51.4 t -70.02 -46.47 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 120.943 0.401 . . . . 10.0 109.934 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -65.17 -41.43 94.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.485 -0.78 . . . . 10.0 111.381 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -65.88 -38.48 88.89 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.386 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.82 -24.5 60.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.217 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.6 tp -72.92 -39.76 66.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.545 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -70.42 -37.04 74.37 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.873 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -71.56 -28.31 63.76 Favored 'General case' 0 CA--C 1.527 0.09 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.302 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -69.43 -42.51 74.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.34 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.9 -16.17 60.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.153 -0.476 . . . . 10.0 112.09 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.26 0.46 43.18 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -124.45 130.77 24.2 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-N 116.545 -0.298 . . . . 10.0 111.333 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.81 -61.55 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.856 2.37 . . . . 10.0 111.58 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 p -133.66 124.78 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.126 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.626 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.4 99.3 9.72 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 112.25 0.463 . . . . 10.0 112.25 -179.213 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 28.4 Cg_endo -64.36 -39.02 31.31 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.438 2.092 . . . . 10.0 112.43 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.87 -42.84 57.14 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.111 -0.495 . . . . 10.0 112.195 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.626 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.8 mm? -71.61 -23.59 61.73 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.8 tp -74.74 -40.41 61.28 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.523 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.19 77.17 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.785 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.36 -41.79 66.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.751 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -67.47 -33.45 75.14 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.009 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -60.98 -48.97 79.35 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.08 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -71.64 -40.44 69.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.676 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -65.74 -35.32 80.4 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -72.91 -34.22 66.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.944 0.402 . . . . 10.0 110.515 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 m -73.8 -31.62 63.34 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.985 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -67.67 -36.85 81.48 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.867 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -68.34 -32.44 72.55 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -68.98 -43.32 75.14 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.509 -0.769 . . . . 10.0 110.499 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 56' ' ' LEU . 2.3 mm? -67.1 -31.08 71.32 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.207 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.59 -43.62 72.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.586 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -73.02 -31.49 64.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.108 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -72.61 -47.25 49.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.231 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.05 -31.22 71.6 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.373 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' HG23 ' A' ' 65' ' ' VAL . 32.7 tt0 -72.31 -43.54 64.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -64.74 -28.63 69.72 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.62 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -73.65 -39.97 64.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.405 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.6 p -69.57 -37.56 77.03 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.482 0.549 . . . . 10.0 112.482 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 61' ' ' GLN . 24.8 t -68.15 -36.55 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.117 0.484 . . . . 10.0 110.401 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -70.46 -47.83 58.76 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.3 t -69.77 -46.55 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 114.269 1.211 . . . . 10.0 114.269 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.862 ' HE2' ' HB2' ' D' ' 39' ' ' SER . 79.2 t80 -57.36 -38.45 74.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.412 0.625 . . . . 10.0 110.544 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.522 ' HE2' ' HB3' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -68.83 -35.07 76.51 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.195 -0.911 . . . . 10.0 110.723 178.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.88 -28.34 63.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.51 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 67' ' ' VAL . 24.2 mt -61.59 -56.67 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.609 0.718 . . . . 10.0 109.83 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.742 ' HA ' HD12 ' A' ' 75' ' ' ILE . 15.6 m-20 -65.24 -26.63 68.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.521 -1.218 . . . . 10.0 112.925 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.2 92.89 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.776 0.322 . . . . 10.0 111.022 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.64 75.46 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.181 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 72' ' ' ASP . 14.9 mt -70.15 -35.39 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.469 0.652 . . . . 10.0 110.275 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.515 HD12 HD21 ' D' ' 44' ' ' LEU . 1.0 OUTLIER -62.43 -33.27 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.946 -1.025 . . . . 10.0 111.414 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.444 ' HG2' HG22 ' A' ' 76' ' ' ILE . 12.9 mm100 -78.63 -32.1 47.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.898 -0.592 . . . . 10.0 112.468 -178.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' A' ' 75' ' ' ILE . 1.9 p-10 -88.65 2.79 52.56 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.244 0.545 . . . . 10.0 109.933 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.778 ' HA ' HE21 ' D' ' 48' ' ' GLN . 2.4 t80 -56.65 -83.75 0.01 OUTLIER 'General case' 0 C--N 1.343 0.296 0 CA-C-N 114.731 -1.122 . . . . 10.0 109.573 177.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.456 ' H ' ' HG3' ' A' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.255 -0.879 . . . . 10.0 111.098 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.711 0.291 . . . . 10.0 111.18 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.29 146.16 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 19.7 m -100.45 114.7 65.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.669 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.89 139.99 49.18 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.719 2.279 . . . . 10.0 112.25 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -69.88 110.45 5.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.57 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 11.5 m -137.81 152.43 49.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.868 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.13 177.14 48.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.165 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' B' ' 12' ' ' VAL . 79.6 m-85 -67.14 -34.53 77.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.682 0.277 . . . . 10.0 111.3 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.0 -39.02 72.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.303 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.63 -31.64 67.09 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.264 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.89 -36.94 81.1 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.348 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.542 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 86.9 t -67.81 -37.25 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.184 0.516 . . . . 10.0 110.25 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.3 m -70.01 -36.96 75.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.239 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.55 -32.47 60.45 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.728 0.64 . . . . 10.0 112.728 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.854 ' HZ3' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -63.32 -40.05 96.25 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.795 0.331 . . . . 10.0 111.389 -179.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.55 ' O ' HG22 ' B' ' 20' ' ' VAL . 37.7 m-85 -75.63 -31.41 59.83 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.715 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -64.01 -52.5 59.24 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 112.797 0.665 . . . . 10.0 112.797 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -67.77 -22.47 65.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.356 0.598 . . . . 10.0 109.509 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.11 -44.75 53.39 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.168 -0.924 . . . . 10.0 115.179 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.701 HG12 HD21 ' B' ' 23' ' ' LEU . 22.7 m -115.44 29.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-O 121.153 0.501 . . . . 10.0 111.239 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -69.9 -19.19 63.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.487 -0.779 . . . . 10.0 111.912 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -91.6 -41.45 10.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.701 HD21 HG12 ' B' ' 20' ' ' VAL . 4.4 pp -68.71 -21.63 64.39 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 113.267 0.839 . . . . 10.0 113.267 -179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 20' ' ' VAL . 96.0 mt-30 -57.67 -50.35 73.48 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.807 0.337 . . . . 10.0 111.171 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.9 t -71.56 -27.25 63.03 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.392 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -67.88 -30.38 69.72 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.294 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 23' ' ' LEU . 97.5 t -70.57 -44.65 76.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.98 0.419 . . . . 10.0 109.995 179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -65.83 -40.02 91.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.022 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.47 -38.72 87.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.028 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.0 -24.96 61.66 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.187 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 47.8 tp -73.03 -40.12 65.4 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.462 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -70.44 -36.57 74.03 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.716 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -71.48 -25.21 62.18 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.08 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -44.33 69.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.58 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.84 -15.5 60.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.0 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.24 7.46 44.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.522 -0.308 . . . . 10.0 111.501 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 1.1 tppt? -131.91 128.54 21.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 10.0 111.167 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 33.5 Cg_exo -61.73 -58.82 0.35 Allowed 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.914 2.409 . . . . 10.0 111.94 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.3 p -138.28 125.03 20.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.823 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -137.02 94.47 12.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.48 -35.96 46.24 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.393 2.062 . . . . 10.0 111.987 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.61 -43.47 47.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.1 -0.5 . . . . 10.0 112.05 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.644 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.8 mm? -71.18 -27.44 63.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.692 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -72.71 -34.96 67.46 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.948 -0.389 . . . . 10.0 109.948 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.38 87.51 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.433 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.09 -42.69 65.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -64.52 -33.68 76.47 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.191 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -62.92 -49.67 73.85 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.749 0.309 . . . . 10.0 111.31 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 t -71.63 -39.9 70.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.465 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -67.7 -34.8 77.62 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 -179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 tp -72.13 -30.54 65.15 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 71.4 m -74.4 -29.34 61.48 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.287 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -69.9 -36.19 75.21 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.469 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -67.19 -32.76 74.05 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -70.88 -34.08 71.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.464 -0.789 . . . . 10.0 109.603 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -41.38 95.41 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.651 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 1.2 t80 -68.05 -44.76 75.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.239 -0.891 . . . . 10.0 111.728 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' B' ' 58' ' ' ARG . 2.5 mmp_? -76.02 -17.61 59.6 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 113.145 0.794 . . . . 10.0 113.145 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.19 -63.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.887 0.699 . . . . 10.0 112.887 -178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.17 -33.47 72.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.579 0.352 . . . . 10.0 110.8 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.558 ' O ' HG23 ' B' ' 65' ' ' VAL . 40.9 tt0 -62.48 -49.59 74.79 Favored 'General case' 0 C--O 1.226 -0.137 0 O-C-N 123.207 0.317 . . . . 10.0 111.208 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.5 m -64.71 -31.54 72.81 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.791 0.329 . . . . 10.0 110.954 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.509 ' O ' HG23 ' B' ' 67' ' ' VAL . 85.1 m-20 -70.05 -42.83 72.36 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.235 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 25.4 p -70.01 -37.79 75.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 61' ' ' GLN . 69.0 t -60.65 -37.56 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.761 0.315 . . . . 10.0 110.912 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -72.39 -41.62 66.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.562 0.578 . . . . 10.0 112.562 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.705 ' O ' HG13 ' B' ' 71' ' ' ILE . 21.6 t -62.14 -54.2 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 112.63 0.604 . . . . 10.0 112.63 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . 0.773 ' HA ' HD12 ' B' ' 71' ' ' ILE . 67.8 t80 -58.97 -34.8 72.22 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -37.83 78.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.319 -0.401 . . . . 10.0 110.93 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.78 -18.9 60.4 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.287 179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' B' ' 68' ' ' PHE . 82.9 mt -68.59 -55.54 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.101 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -70.34 -20.16 63.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.826 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.66 74.39 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.852 0.358 . . . . 10.0 110.722 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.58 -36.48 78.79 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.614 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.462 ' HA ' ' OD1' ' B' ' 78' ' ' ASN . 43.7 mt -69.59 -35.83 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.415 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -28.12 43.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.553 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -76.17 -36.84 58.53 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.765 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.462 ' OD1' ' HA ' ' B' ' 75' ' ' ILE . 2.7 p-10 -92.1 4.38 53.27 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.889 0.376 . . . . 10.0 111.175 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -62.48 -85.49 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.995 179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.668 ' H ' ' HD3' ' B' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.115 -0.945 . . . . 10.0 111.581 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.716 0.293 . . . . 10.0 111.185 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.67 147.73 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 21.0 m -102.13 116.78 62.62 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.797 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.78 153.56 58.98 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.902 2.401 . . . . 10.0 112.575 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -78.14 110.35 13.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.507 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 30.9 p -152.51 152.17 31.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.35 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.44 -165.41 30.89 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.988 -0.625 . . . . 10.0 111.951 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . 0.406 ' O ' HG23 ' C' ' 12' ' ' VAL . 67.0 m-85 -67.28 -40.38 86.11 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.772 0.32 . . . . 10.0 111.526 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.38 -38.26 81.18 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.857 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -72.03 -32.83 67.51 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.381 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.95 -37.08 83.62 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.174 -0.467 . . . . 10.0 111.649 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 8' ' ' TYR . 95.2 t -67.98 -41.34 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.773 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 50.7 m -66.32 -38.87 88.69 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.805 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 -24.57 58.84 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.394 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -65.21 -43.64 90.91 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.557 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.565 ' O ' HG22 ' C' ' 20' ' ' VAL . 59.1 m-85 -74.68 -32.83 62.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.865 -0.607 . . . . 10.0 111.133 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.54 -39.75 94.34 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 20.8 m -73.22 -30.38 63.46 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.953 0.406 . . . . 10.0 111.014 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.41 -25.53 67.92 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.598 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.565 HG22 ' O ' ' C' ' 16' ' ' PHE . 25.4 m -114.01 24.33 4.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.736 0.303 . . . . 10.0 111.592 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.12 30.44 0.52 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -145.57 -49.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 10.0 111.277 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.599 ' O ' HG23 ' C' ' 27' ' ' VAL . 0.0 OUTLIER -68.28 -20.04 64.75 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.451 ' N ' HD13 ' C' ' 23' ' ' LEU . 84.4 mt-30 -59.28 -49.28 78.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.85 0.357 . . . . 10.0 110.744 178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -69.49 -26.82 64.74 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -69.13 -25.69 64.51 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.618 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.599 HG23 ' O ' ' C' ' 23' ' ' LEU . 46.6 t -69.47 -48.79 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 109.535 -0.542 . . . . 10.0 109.535 178.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -66.17 -39.83 90.02 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.531 -0.758 . . . . 10.0 111.492 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.46 -42.5 92.23 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.943 0.349 . . . . 10.0 111.943 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 -24.31 61.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.338 . . . . 10.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . 0.59 HD21 HG22 ' A' ' 12' ' ' VAL . 62.8 tp -71.81 -39.1 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.377 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . 0.855 ' HA ' ' HE3' ' A' ' 15' ' ' LYS . 69.5 m-20 -70.12 -39.71 75.31 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.943 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -72.03 -23.29 61.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.915 -0.584 . . . . 10.0 112.201 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.84 -55.35 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.752 0.649 . . . . 10.0 112.752 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . 0.484 ' HB1' ' HA ' ' A' ' 16' ' ' PHE . . . -76.54 -15.59 59.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.759 1.022 . . . . 10.0 113.759 -177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.32 18.76 14.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.301 0.572 . . . . 10.0 110.988 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.488 ' HA ' ' HD3' ' C' ' 37' ' ' LYS . 0.2 OUTLIER -144.75 122.72 6.59 Favored Pre-proline 0 N--CA 1.454 -0.227 0 CA-C-N 115.0 -1.0 . . . . 10.0 109.257 179.05 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -50.12 -69.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.597 2.865 . . . . 10.0 114.021 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 29.9 m -127.82 125.65 40.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.717 0.294 . . . . 10.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.718 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -137.2 93.43 13.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.842 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -63.6 -37.02 49.88 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.569 2.18 . . . . 10.0 112.608 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.0 -40.09 60.84 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.682 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.718 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.0 mm? -72.82 -22.63 60.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.85 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 36.6 tp -73.74 -44.37 56.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.491 -0.322 . . . . 10.0 110.811 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.11 80.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.876 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.56 -38.88 70.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.85 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . 0.408 ' O ' ' HG ' ' C' ' 51' ' ' LEU . 9.3 t80 -69.38 -34.47 74.59 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.032 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -59.67 -45.85 90.8 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.946 0.403 . . . . 10.0 110.848 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 43.9 t -71.9 -37.8 70.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.789 -0.642 . . . . 10.0 111.046 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' C' ' 50' ' ' LYS . 13.1 mmtm -58.44 -56.04 27.24 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 114.381 1.252 . . . . 10.0 114.381 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' C' ' 47' ' ' TYR . 0.4 OUTLIER -70.56 -29.81 66.36 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 -179.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . 0.463 ' O ' HD22 ' C' ' 56' ' ' LEU . 78.7 p -69.42 -30.51 68.48 Favored 'General case' 0 C--O 1.228 -0.075 0 C-N-CA 120.716 -0.394 . . . . 10.0 110.321 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.89 -37.08 78.79 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.4 -0.592 . . . . 10.0 109.4 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.56 -33.6 74.37 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.466 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.44 -49.83 69.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.147 -0.933 . . . . 10.0 111.369 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.463 HD22 ' O ' ' C' ' 52' ' ' SER . 0.3 OUTLIER -73.58 -27.79 61.49 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.246 0.832 . . . . 10.0 113.246 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -65.16 -43.08 92.92 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.083 0.468 . . . . 10.0 109.748 178.457 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.494 ' HG2' ' CE2' ' C' ' 57' ' ' TYR . 1.5 mmp_? -76.68 -31.66 57.4 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.544 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.59 -41.33 88.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.854 0.359 . . . . 10.0 110.18 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.01 -34.12 68.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.767 -0.652 . . . . 10.0 110.506 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.652 ' O ' HG23 ' C' ' 65' ' ' VAL . 39.6 tt0 -69.22 -39.65 78.44 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.583 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . 0.467 ' HB3' ' ND2' ' A' ' 78' ' ' ASN . 58.6 m -65.34 -36.13 83.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.974 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . 0.401 ' O ' HG23 ' C' ' 67' ' ' VAL . 91.8 m-20 -72.8 -41.32 65.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.607 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 24.3 p -64.95 -37.56 88.05 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.836 0.31 . . . . 10.0 111.836 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.652 HG23 ' O ' ' C' ' 61' ' ' GLN . 62.3 t -66.66 -52.66 43.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . 0.645 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 11.4 tmtt? -58.13 -42.44 85.85 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 113.479 0.918 . . . . 10.0 113.479 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . 0.401 HG23 ' O ' ' C' ' 63' ' ' ASN . 74.4 t -65.95 -45.62 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 113.033 0.753 . . . . 10.0 113.033 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -61.4 -32.75 72.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 10.0 111.569 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' C' ' 66' ' ' LYS . 0.8 OUTLIER -70.71 -36.53 73.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.194 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.61 -28.44 66.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.021 -0.536 . . . . 10.0 111.85 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -69.12 -50.18 55.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.926 0.393 . . . . 10.0 110.033 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -71.08 -21.83 62.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.697 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.9 73.99 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.72 0.295 . . . . 10.0 111.096 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.49 -36.07 68.32 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.634 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.439 ' HA ' ' OD1' ' C' ' 78' ' ' ASN . 45.7 mt -74.14 -33.61 35.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.296 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mp -69.01 -30.28 46.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.433 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -82.63 -27.31 31.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.772 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . 0.439 ' OD1' ' HA ' ' C' ' 75' ' ' ILE . 0.2 OUTLIER -88.26 -4.76 58.65 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.041 0.448 . . . . 10.0 110.616 179.028 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . 0.432 ' HB3' ' H ' ' C' ' 80' ' ' ARG . 3.0 t80 -53.26 -83.11 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.073 -0.967 . . . . 10.0 110.838 178.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . 0.783 ' HD3' ' H ' ' C' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.312 -0.851 . . . . 10.0 111.588 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.749 0.309 . . . . 10.0 111.051 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.28 147.25 26.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.166 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 18.9 m -99.98 116.28 64.78 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.619 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.33 139.95 47.13 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.73 2.286 . . . . 10.0 112.345 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 42.3 t90 -75.24 111.03 10.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.5 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 22.9 p -154.26 143.7 21.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.198 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . 0.504 ' H ' ' HB3' ' D' ' 10' ' ' ASP . . . -159.21 -170.1 23.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.064 -0.588 . . . . 10.0 111.929 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . 0.413 ' O ' HG23 ' D' ' 12' ' ' VAL . 55.6 m-85 -67.17 -38.92 86.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.644 0.259 . . . . 10.0 111.639 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 52.6 tp -72.39 -35.21 68.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.902 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . 0.504 ' HB3' ' H ' ' D' ' 7' ' ' GLY . 36.9 t70 -72.15 -32.76 67.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.165 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -67.33 -38.31 84.69 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.364 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.413 HG23 ' O ' ' D' ' 8' ' ' TYR . 60.6 t -69.85 -38.58 76.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.919 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 49.9 m -66.57 -40.12 88.82 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.864 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.27 58.56 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.042 -0.526 . . . . 10.0 111.294 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -67.28 -39.55 86.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.795 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.433 ' O ' HG22 ' D' ' 20' ' ' VAL . 49.1 m-85 -77.52 -34.21 54.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.002 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.13 -43.73 90.99 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -77.17 -26.57 53.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.922 0.392 . . . . 10.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.12 -38.07 92.0 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 121.028 -0.606 . . . . 10.0 112.87 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.433 HG22 ' O ' ' D' ' 16' ' ' PHE . 34.4 m -118.81 31.4 2.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 120.916 0.389 . . . . 10.0 111.301 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.71 -26.76 68.51 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.822 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -85.64 -30.75 23.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.302 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.51 ' O ' HG23 ' D' ' 27' ' ' VAL . 46.9 mt -70.11 -24.97 63.28 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.159 0.429 . . . . 10.0 112.159 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -62.05 -49.35 76.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.716 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -72.11 -27.09 62.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.181 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -67.84 -33.17 74.25 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.554 -0.294 . . . . 10.0 111.563 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.51 HG23 ' O ' ' D' ' 23' ' ' LEU . 89.9 t -72.07 -40.65 67.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.605 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 18.1 m -65.59 -41.21 93.11 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.903 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.17 -31.74 70.58 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.189 -0.46 . . . . 10.0 111.391 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.515 ' O ' ' HB2' ' D' ' 34' ' ' LEU . . . -73.3 -24.48 60.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.171 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.37 -43.12 61.28 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.791 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -70.15 -35.47 74.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.188 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -42.21 69.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.376 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.641 ' HB3' ' HE2' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -68.58 -29.27 67.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.934 -0.576 . . . . 10.0 111.401 -179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . 0.854 ' HA ' ' HZ3' ' B' ' 15' ' ' LYS . . . -55.54 -43.75 76.08 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.872 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.386 . . -111.55 24.24 13.0 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 115.541 1.682 . . . . 10.0 115.541 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . 0.522 ' HD3' ' HA ' ' D' ' 37' ' ' LYS . 32.3 mmtm -123.78 107.61 31.17 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 107.172 -1.418 . . . . 10.0 107.172 176.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -67.97 -73.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.72 2.28 . . . . 10.0 113.11 -177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . 0.862 ' HB2' ' HE2' ' A' ' 68' ' ' PHE . 2.3 p -104.02 120.26 40.68 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.81 ' HB2' ' HB2' ' D' ' 43' ' ' LEU . 0.3 OUTLIER -142.13 106.7 5.7 Favored Pre-proline 0 C--O 1.217 -0.61 0 N-CA-C 114.579 1.326 . . . . 10.0 114.579 -178.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.659 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 33.0 Cg_endo -66.17 -45.35 5.77 Favored 'Trans proline' 0 C--N 1.333 -0.28 0 C-N-CA 122.849 2.366 . . . . 10.0 112.874 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.8 -43.83 35.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.355 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.81 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 3.7 mm? -68.36 -23.04 64.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.356 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.792 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -79.9 -39.13 31.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.53 178.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.17 92.25 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.014 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.71 -48.75 58.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.233 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -63.97 -33.48 75.81 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.963 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . 0.778 HE21 ' HA ' ' A' ' 79' ' ' PHE . 53.3 tt0 -62.56 -49.58 74.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.3 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 46.8 t -75.15 -38.81 60.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -70.09 -34.79 73.6 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -69.4 -40.51 77.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.147 0.499 . . . . 10.0 110.069 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 62.8 p -73.76 -28.54 61.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.309 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -63.82 -36.39 83.73 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.74 -37.61 87.26 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.109 -0.95 . . . . 10.0 109.704 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -63.14 -45.78 90.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.201 -0.908 . . . . 10.0 112.292 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.2 mm? -69.41 -27.98 65.76 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -68.52 -40.05 80.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' D' ' 58' ' ' ARG . 1.7 mmp_? -75.81 -35.13 60.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.822 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.64 -46.87 65.19 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.034 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.03 93.47 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.184 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . 0.584 ' O ' HG23 ' D' ' 65' ' ' VAL . 36.4 tt0 -69.14 -35.38 76.29 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.144 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 58.3 m -71.15 -28.93 64.62 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.798 0.333 . . . . 10.0 111.038 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.476 ' O ' HG23 ' D' ' 67' ' ' VAL . 89.6 m-20 -72.99 -37.66 66.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.39 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 34.1 p -68.66 -37.42 79.64 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . 0.584 HG23 ' O ' ' D' ' 61' ' ' GLN . 21.8 t -66.38 -34.47 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.935 0.398 . . . . 10.0 110.009 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -70.21 -36.26 74.47 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.898 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.476 HG23 ' O ' ' D' ' 63' ' ' ASN . 93.5 t -69.71 -54.98 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -58.21 -39.32 78.73 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.453 ' HB3' ' HE2' ' D' ' 69' ' ' LYS . 15.8 ttpt -72.69 -35.7 67.71 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.184 0.439 . . . . 10.0 112.184 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -36.16 71.17 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 25.6 pt -71.48 -39.0 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 C-N-CA 120.964 -0.295 . . . . 10.0 111.651 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.38 -25.59 61.56 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.13 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.45 -34.83 70.6 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.801 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.34 -38.76 78.29 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.655 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . 0.452 ' HA ' ' OD1' ' D' ' 78' ' ' ASN . 49.8 mt -69.92 -33.89 57.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.234 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.62 -26.91 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.249 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -74.82 -40.26 61.19 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.349 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . 0.452 ' OD1' ' HA ' ' D' ' 75' ' ' ILE . 3.2 p-10 -90.36 3.96 52.23 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.72 0.295 . . . . 10.0 111.632 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -59.9 -85.82 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.42 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . 0.601 ' HD3' ' H ' ' D' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.137 -0.935 . . . . 10.0 111.587 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.809 0.338 . . . . 10.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.56 106.82 18.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.064 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.52 107.31 43.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.215 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.24 165.72 27.4 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.946 2.431 . . . . 10.0 112.231 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.07 111.79 9.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.54 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 p -160.05 145.58 15.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.054 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.0 -177.55 33.19 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 120.313 -0.946 . . . . 10.0 114.008 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -66.6 -30.52 70.83 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.912 0.387 . . . . 10.0 111.015 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -73.9 -34.08 64.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.516 179.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.481 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 12.3 m-20 -70.21 -27.95 64.89 Favored 'General case' 0 N--CA 1.461 0.088 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.986 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -74.34 -36.95 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.567 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.11 -45.0 84.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.313 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.7 p -65.62 -39.14 91.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.204 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.74 -23.03 59.7 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.965 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -63.49 -44.44 94.34 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.37 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.504 ' O ' HG22 ' A' ' 20' ' ' VAL . 61.2 m-85 -74.0 -30.55 62.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.688 -0.687 . . . . 10.0 111.672 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -65.81 -50.41 64.75 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.5 m -66.88 -23.57 66.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.069 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' C' ' 35' ' ' ALA . . . -72.34 -52.6 10.3 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.612 -0.722 . . . . 10.0 112.849 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 16' ' ' PHE . 26.9 m -99.03 31.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.914 0.388 . . . . 10.0 111.577 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.56 -52.16 66.34 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.318 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -88.87 -14.59 36.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.809 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 tm? -70.66 -37.69 73.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.508 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -63.48 -40.69 97.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.044 -0.525 . . . . 10.0 111.969 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -70.63 -26.4 63.46 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.617 0.246 . . . . 10.0 111.51 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -72.11 -27.1 62.42 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.504 -0.317 . . . . 10.0 110.895 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 23' ' ' LEU . 42.3 t -70.22 -48.28 62.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.149 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.9 p -65.99 -34.91 79.18 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.846 -0.615 . . . . 10.0 112.006 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -68.94 -29.56 67.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.907 0.385 . . . . 10.0 110.651 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.5 -26.93 61.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.914 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 31' ' ' LEU . 1.2 mm? -72.65 -37.03 68.1 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.714 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -70.2 -34.49 72.99 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.682 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 60.6 mttp -70.94 -41.58 70.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.912 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.77 -25.89 66.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.085 -0.507 . . . . 10.0 112.06 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.45 -21.3 62.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 10.0 112.135 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.86 7.89 17.14 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 111.788 0.292 . . . . 10.0 111.788 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 44.3 mmtm -117.06 122.93 30.65 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.686 -0.234 . . . . 10.0 111.524 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 19.6 Cg_exo -67.68 -66.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.962 2.441 . . . . 10.0 111.516 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.3 m -127.82 123.25 34.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.936 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.61 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -138.57 96.94 9.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.206 -0.452 . . . . 10.0 111.787 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.81 -37.05 47.45 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.324 2.016 . . . . 10.0 112.315 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.87 -46.09 32.04 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.61 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.5 mm? -69.4 -29.13 66.8 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 11.9 tp -72.93 -35.76 67.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.636 0.255 . . . . 10.0 111.184 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.72 -36.74 76.15 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.769 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.99 -31.35 64.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.761 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -72.76 -39.22 66.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.395 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 44' ' ' LEU . 45.6 mt-30 -65.74 -37.58 86.76 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 112.138 0.421 . . . . 10.0 112.138 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.4 p -73.28 -39.11 65.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -75.11 -23.62 57.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.841 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 tp -74.72 -39.79 61.69 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.252 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 p -72.86 -29.65 63.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.798 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' C' ' 38' ' ' PRO . 46.6 mt-10 -66.74 -36.75 83.17 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.122 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -66.67 -35.06 79.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.773 -0.648 . . . . 10.0 110.027 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -66.48 -38.98 88.48 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.695 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.92 -32.7 72.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.819 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' HD1' ' HB3' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -64.08 -45.66 87.71 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.507 -0.315 . . . . 10.0 110.812 179.251 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.29 -31.55 60.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.413 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -65.21 -54.43 29.67 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.495 -0.321 . . . . 10.0 111.176 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.51 -31.43 72.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.997 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -69.02 -48.73 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.658 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.1 p -71.09 -27.26 63.49 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.7 m120 -70.69 -39.82 73.27 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.144 0.424 . . . . 10.0 112.144 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.0 p -69.68 -38.43 77.03 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.21 -38.45 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.855 0.359 . . . . 10.0 111.632 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -76.0 -33.09 59.69 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 114.296 1.221 . . . . 10.0 114.296 -178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.644 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.2 t -77.58 -42.89 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.349 -0.541 . . . . 10.0 111.855 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -60.8 -35.44 76.5 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.995 0.426 . . . . 10.0 110.512 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -71.94 -35.61 69.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.984 179.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.58 -36.57 82.95 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.953 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' ' 67' ' ' VAL . 38.9 mt -59.0 -52.48 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-O 121.476 0.655 . . . . 10.0 110.301 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 76' ' ' ILE . 3.1 m-20 -70.12 -19.51 63.22 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.866 -1.061 . . . . 10.0 113.211 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 76' ' ' ILE . . . -66.54 -39.39 88.56 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.221 0.534 . . . . 10.0 109.648 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.07 -27.7 61.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.599 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.798 HD11 ' NE ' ' C' ' 58' ' ' ARG . 10.1 mm -64.4 -52.71 51.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 CA-C-N 115.133 -0.94 . . . . 10.0 111.063 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.676 ' HA ' ' HB2' ' A' ' 79' ' ' PHE . 12.5 pt -64.91 -24.37 35.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.525 -0.761 . . . . 10.0 112.694 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -74.34 -29.17 61.47 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.296 -0.562 . . . . 10.0 110.045 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -101.95 7.42 41.4 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.391 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.676 ' HB2' ' HA ' ' A' ' 76' ' ' ILE . 1.2 t80 -66.18 -82.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.056 -0.975 . . . . 10.0 110.271 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.713 ' HD3' ' ND2' ' B' ' 63' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.093 -0.956 . . . . 10.0 111.674 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.747 0.308 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.36 107.94 19.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.97 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.4 p -117.19 108.58 43.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.17 157.24 46.43 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.718 2.279 . . . . 10.0 112.051 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -73.88 111.19 8.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.099 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 35.7 p -160.18 149.68 17.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.626 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.76 -175.99 32.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.64 -0.79 . . . . 10.0 112.583 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -67.16 -32.24 73.21 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.738 0.273 . . . . 10.0 111.738 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -33.81 71.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.053 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -72.15 -28.08 63.01 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.989 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.27 -39.2 65.58 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.515 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.37 -38.0 80.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.735 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 38.4 m -65.95 -44.35 85.28 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.557 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.05 -22.94 62.06 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.392 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.416 ' HG3' ' HB2' ' D' ' 35' ' ' ALA . 9.3 tptt -62.96 -46.62 86.89 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.733 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.569 ' HB3' ' HD1' ' B' ' 57' ' ' TYR . 66.9 m-85 -75.06 -28.31 60.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.618 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.27 -50.72 64.67 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 112.029 0.381 . . . . 10.0 112.029 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.6 p -66.61 -22.64 66.12 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.55 -52.84 9.32 Favored Glycine 0 N--CA 1.442 -0.909 0 CA-C-N 115.316 -0.856 . . . . 10.0 112.774 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.512 HG22 ' O ' ' B' ' 16' ' ' PHE . 15.9 m -101.92 31.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.16 0.505 . . . . 10.0 111.957 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.6 -52.07 64.84 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.552 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.404 ' O ' HG22 ' B' ' 25' ' ' THR . 39.6 m-80 -91.07 -13.62 32.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.413 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.489 ' O ' HG23 ' B' ' 27' ' ' VAL . 3.2 tm? -71.11 -36.78 72.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.132 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -64.45 -40.11 95.09 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.692 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.404 HG22 ' O ' ' B' ' 22' ' ' ASN . 9.9 t -70.57 -26.33 63.48 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.617 -0.265 . . . . 10.0 111.404 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -72.45 -27.57 62.4 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.727 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 23' ' ' LEU . 42.9 t -70.52 -45.84 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.308 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.3 p -68.69 -33.93 74.8 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.564 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.08 -29.79 67.97 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.387 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.43 62.88 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.648 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' B' ' 31' ' ' LEU . 1.6 mm? -72.01 -36.93 69.85 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.623 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -70.4 -34.56 72.67 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.431 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -71.23 -37.0 72.03 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.82 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.15 -27.51 65.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.573 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.65 60.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.581 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.67 3.86 18.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.519 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 41.6 mmtm -121.09 125.72 26.88 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.44 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 21.7 Cg_exo -67.5 -57.73 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.843 2.362 . . . . 10.0 111.026 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 64.7 m -136.77 124.17 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.418 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.584 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.9 OUTLIER -137.36 94.83 11.92 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.391 -0.368 . . . . 10.0 111.806 -179.522 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.28 -35.32 51.94 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.199 1.933 . . . . 10.0 112.198 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.49 -45.87 35.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.101 -0.499 . . . . 10.0 112.095 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.0 mm? -71.84 -24.51 61.71 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.189 0.44 . . . . 10.0 112.189 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.0 tp -73.12 -40.24 65.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.525 0.202 . . . . 10.0 110.664 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.39 -32.81 73.14 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.959 0.409 . . . . 10.0 110.418 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.96 65.67 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.407 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -72.19 -34.47 68.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.979 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -63.51 -39.9 95.66 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.38 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -76.26 -46.65 27.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.104 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.508 ' HD3' ' OE1' ' B' ' 53' ' ' GLU . 30.6 mmtm -62.8 -32.5 73.69 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.019 0.748 . . . . 10.0 113.019 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 43.9 tp -72.66 -43.05 63.66 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.116 0.484 . . . . 10.0 110.544 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -68.33 -28.7 67.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.868 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.508 ' OE1' ' HD3' ' B' ' 50' ' ' LYS . 32.8 mt-10 -67.95 -35.57 78.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.016 178.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -61.65 -33.27 73.67 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.075 -0.713 . . . . 10.0 109.075 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -68.41 -31.17 70.32 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 115.183 -0.917 . . . . 10.0 110.656 178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -33.82 76.69 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.046 0.451 . . . . 10.0 110.755 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . 0.569 ' HD1' ' HB3' ' B' ' 16' ' ' PHE . 0.2 OUTLIER -69.9 -49.11 55.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.6 -0.727 . . . . 10.0 112.226 -179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -32.49 61.83 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 -178.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.427 ' HB3' HD12 ' A' ' 76' ' ' ILE . 51.2 m-20 -67.7 -58.61 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.42 -30.86 70.84 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.521 0.201 . . . . 10.0 110.729 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 57' ' ' TYR . 1.8 tt0 -63.28 -46.86 84.85 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.523 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.504 ' HB3' ' HE2' ' B' ' 66' ' ' LYS . 37.4 m -68.36 -35.31 77.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.934 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.713 ' ND2' ' HD3' ' A' ' 80' ' ' ARG . 5.3 m120 -62.71 -44.68 95.6 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.435 0.531 . . . . 10.0 112.435 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 27.4 p -70.11 -42.28 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.029 0.752 . . . . 10.0 113.029 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.64 -34.57 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.504 ' HE2' ' HB3' ' B' ' 62' ' ' SER . 43.4 mttm -74.1 -37.45 64.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 114.077 1.14 . . . . 10.0 114.077 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.03 -40.25 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -65.75 -34.69 78.76 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.422 ' HD3' ' HA ' ' B' ' 69' ' ' LYS . 37.4 mmtm -74.05 -35.03 64.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.261 178.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.29 -43.3 74.11 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.682 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.478 HG21 ' OD1' ' D' ' 55' ' ' ASN . 48.4 pt -67.8 -33.42 61.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.081 0.467 . . . . 10.0 110.479 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' B' ' 75' ' ' ILE . 4.1 t70 -72.72 -28.4 62.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.375 178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.48 -32.56 72.63 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.355 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.09 73.31 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.627 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' B' ' 72' ' ' ASP . 37.2 mt -64.7 -46.12 93.2 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.596 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 72' ' ' ASP . 22.4 mt -57.46 -37.72 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 115.998 -0.546 . . . . 10.0 112.293 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -66.84 -37.58 84.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.861 0.362 . . . . 10.0 111.36 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -96.06 9.67 40.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.362 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' B' ' 75' ' ' ILE . 2.7 t80 -90.37 28.12 1.53 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.955 0.407 . . . . 10.0 111.487 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' B' ' 80' ' ' ARG . 30.8 mtm-85 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.262 -0.875 . . . . 10.0 110.681 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.657 0.265 . . . . 10.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.03 104.68 17.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.524 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 2.6 p -127.33 108.9 21.26 Favored Pre-proline 0 C--N 1.333 -0.13 0 CA-C-O 121.001 0.429 . . . . 10.0 111.833 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -76.02 173.81 13.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.649 2.899 . . . . 10.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -78.12 109.84 12.56 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.104 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -159.18 153.06 23.2 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 111.964 0.357 . . . . 10.0 111.964 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.79 -171.77 31.43 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 121.201 -0.523 . . . . 10.0 112.412 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -67.3 -33.64 75.7 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.226 0.454 . . . . 10.0 112.226 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.558 ' H ' HD23 ' C' ' 9' ' ' LEU . 1.1 pt? -66.85 -29.0 68.79 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.91 -28.89 63.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.362 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -74.71 -36.73 62.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.229 -0.441 . . . . 10.0 111.338 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -68.26 -44.98 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.391 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 31.0 p -65.06 -39.34 93.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.031 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.0 -23.0 60.58 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.213 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -64.43 -42.77 95.83 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.201 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.533 ' HB3' ' HD1' ' C' ' 57' ' ' TYR . 44.6 m-85 -74.5 -32.23 62.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.472 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -64.93 -40.58 95.27 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -73.74 -27.16 61.04 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.936 0.398 . . . . 10.0 111.02 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.29 -41.52 37.85 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.044 -0.598 . . . . 10.0 112.719 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.525 HG22 ' O ' ' C' ' 16' ' ' PHE . 34.6 m -102.14 27.11 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 120.639 0.256 . . . . 10.0 111.677 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.67 -51.22 70.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.934 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -92.64 -12.96 30.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.828 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.441 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.2 tm? -70.94 -40.37 72.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.305 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -64.05 -38.16 90.05 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -72.07 -26.78 62.3 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.532 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -73.13 -25.7 60.94 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.773 0.32 . . . . 10.0 110.724 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.441 HG23 ' O ' ' C' ' 23' ' ' LEU . 87.9 t -71.65 -47.78 55.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.341 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.5 p -66.53 -33.75 76.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.577 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.54 -29.52 68.11 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.929 0.395 . . . . 10.0 110.417 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.91 -26.56 60.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.827 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' C' ' 31' ' ' LEU . 0.9 OUTLIER -71.38 -42.18 68.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.552 179.096 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.41 -31.3 68.45 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.641 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' C' ' 37' ' ' LYS . 0.2 OUTLIER -69.83 -46.07 66.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.461 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -26.03 66.27 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.437 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . 0.435 ' O ' ' HA3' ' A' ' 19' ' ' GLY . . . -57.07 -35.83 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.682 -0.69 . . . . 10.0 112.72 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.56 25.33 9.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.76 1.022 . . . . 10.0 113.76 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' C' ' 37' ' ' LYS . 33.6 mmtm -116.44 113.76 40.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.205 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' C' ' 37' ' ' LYS . 10.5 Cg_endo -53.46 -72.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.359 2.706 . . . . 10.0 112.69 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -130.54 124.33 31.61 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.674 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.742 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.5 OUTLIER -137.91 93.58 11.95 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.814 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -63.95 -36.66 48.26 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.234 1.956 . . . . 10.0 112.198 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.41 -41.73 55.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.262 -0.426 . . . . 10.0 112.002 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.742 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.6 mm? -71.47 -28.7 64.12 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 23.3 tp -72.98 -36.18 67.02 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.76 0.314 . . . . 10.0 110.863 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.02 -35.89 72.2 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.403 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.28 -32.47 64.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.677 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -72.31 -39.8 67.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.08 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.27 -37.36 80.64 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.137 0.421 . . . . 10.0 112.137 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 68.8 p -71.91 -38.79 69.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.536 -0.302 . . . . 10.0 111.453 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -78.54 -22.3 47.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 10.0 111.711 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -75.06 -35.65 61.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 10.0 110.586 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 73.6 p -73.32 -31.32 63.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.172 -0.467 . . . . 10.0 109.941 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.33 -35.98 82.63 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.867 -0.606 . . . . 10.0 109.444 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -65.66 -34.46 78.25 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.862 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -71.14 -38.93 72.24 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.453 -0.794 . . . . 10.0 111.224 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' C' ' 56' ' ' LEU . 0.5 OUTLIER -73.56 -31.34 63.58 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 113.178 0.807 . . . . 10.0 113.178 -179.306 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . 0.533 ' HD1' ' HB3' ' C' ' 16' ' ' PHE . 0.0 OUTLIER -65.84 -42.93 89.9 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.39 -0.596 . . . . 10.0 109.39 178.741 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.798 ' NE ' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -75.59 -34.34 60.64 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.085 -0.961 . . . . 10.0 111.4 -179.304 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . 0.405 ' HA ' ' NH2' ' C' ' 58' ' ' ARG . 7.9 m-20 -64.48 -43.19 94.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.998 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.43 -29.83 67.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.242 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.402 ' O ' HG12 ' C' ' 65' ' ' VAL . 32.4 tt0 -69.2 -46.37 67.59 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.035 -0.53 . . . . 10.0 111.247 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' C' ' 66' ' ' LYS . 59.5 p -71.62 -26.51 62.6 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.867 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . 0.467 ' O ' HG23 ' C' ' 67' ' ' VAL . 2.1 m120 -75.34 -44.96 42.39 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -63.41 -38.91 92.95 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.402 HG12 ' O ' ' C' ' 61' ' ' GLN . 2.1 p -65.37 -45.5 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 121.082 -0.247 . . . . 10.0 111.488 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' C' ' 62' ' ' SER . 32.4 mmtm -66.3 -27.75 68.15 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.789 0.663 . . . . 10.0 112.789 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . 0.467 HG23 ' O ' ' C' ' 63' ' ' ASN . 95.7 t -78.42 -54.21 12.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 112.302 0.482 . . . . 10.0 112.302 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -61.39 -34.83 76.0 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.299 0.481 . . . . 10.0 112.299 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.615 ' HE3' ' HA ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -72.2 -34.56 68.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.44 -0.345 . . . . 10.0 111.195 179.339 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.3 -34.03 76.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.653 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . 0.437 HG13 ' O ' ' C' ' 67' ' ' VAL . 83.9 mt -63.4 -44.44 98.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.603 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.38 -21.7 62.83 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.198 -0.456 . . . . 10.0 112.189 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.75 -41.59 83.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.02 0.438 . . . . 10.0 110.533 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.19 -28.83 61.47 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.182 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' C' ' 79' ' ' PHE . 64.8 mt -66.69 -47.18 83.93 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.133 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.36 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -30.09 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 112.069 0.396 . . . . 10.0 112.069 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -66.51 -33.18 75.11 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.946 0.403 . . . . 10.0 110.832 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -108.69 13.45 25.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.915 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' C' ' 75' ' ' ILE . 39.0 t80 -84.56 -85.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.971 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . 0.987 ' HD3' ' HB3' ' D' ' 63' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.184 -0.912 . . . . 10.0 111.994 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.745 0.307 . . . . 10.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.87 112.24 21.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.767 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -117.62 106.78 45.71 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.036 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.0 155.65 47.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.619 2.213 . . . . 10.0 111.784 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.92 111.11 8.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 29.1 p -161.6 152.03 17.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.822 -0.626 . . . . 10.0 110.738 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.51 -174.77 34.64 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.795 -0.717 . . . . 10.0 112.517 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -67.02 -30.65 70.8 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.892 0.33 . . . . 10.0 111.892 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.416 ' H ' HD23 ' D' ' 9' ' ' LEU . 0.6 OUTLIER -71.09 -33.47 70.22 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.189 179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -72.24 -28.66 63.29 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.008 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.58 -37.17 63.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.055 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -69.39 -44.63 80.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.268 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 43.3 p -64.3 -40.91 96.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.11 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -23.01 61.28 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.349 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -66.72 -38.53 86.88 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-O 120.931 0.396 . . . . 10.0 110.47 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.406 ' O ' HG22 ' D' ' 20' ' ' VAL . 64.5 m-85 -77.35 -34.76 55.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.203 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -65.5 -46.23 80.5 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.842 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -79.77 -24.45 41.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.67 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.93 -45.86 70.71 Favored Glycine 0 C--N 1.329 0.175 0 C-N-CA 120.855 -0.688 . . . . 10.0 112.952 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.693 ' HB ' HD21 ' D' ' 23' ' ' LEU . 33.4 m -113.62 32.16 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-O 121.31 0.576 . . . . 10.0 111.621 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.54 -30.73 69.94 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.24 -0.891 . . . . 10.0 113.2 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . 0.42 ' O ' HG22 ' D' ' 25' ' ' THR . 14.0 m-80 -87.68 -36.99 17.11 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.764 1.394 . . . . 10.0 114.764 -178.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.705 HD13 ' H ' ' D' ' 23' ' ' LEU 0.418 0.0 OUTLIER -71.39 -20.2 62.17 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 114.335 1.235 . . . . 10.0 114.335 -179.941 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -61.03 -44.5 97.32 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.066 -0.346 . . . . 10.0 110.066 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.42 HG22 ' O ' ' D' ' 22' ' ' ASN . 15.1 t -73.18 -26.57 61.23 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.374 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -69.0 -26.67 65.13 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.727 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.544 HG23 ' O ' ' D' ' 23' ' ' LEU . 96.3 t -73.25 -48.19 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.043 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.058 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.3 p -63.85 -32.93 74.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.253 -0.43 . . . . 10.0 111.213 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -71.94 -29.54 64.39 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.683 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.29 -28.02 61.87 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.737 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' D' ' 31' ' ' LEU . 0.3 OUTLIER -73.15 -36.88 66.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.852 179.338 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.55 -36.09 81.83 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.785 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . 0.594 ' O ' ' HG2' ' D' ' 37' ' ' LYS . 62.3 mttp -71.4 -45.98 61.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.259 179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -25.38 68.16 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.607 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' B' ' 15' ' ' LYS . . . -51.16 -37.28 45.46 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.399 0.518 . . . . 10.0 112.399 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.72 24.77 10.68 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . 0.601 ' HB3' ' OD1' ' D' ' 40' ' ' ASP . 42.8 mmtm -116.55 107.86 46.1 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.429 -0.805 . . . . 10.0 109.25 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.49 -75.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.727 2.285 . . . . 10.0 112.38 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . 0.48 ' OG ' HD22 ' A' ' 9' ' ' LEU . 64.3 p -109.45 123.78 49.94 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 178.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.601 ' OD1' ' HB3' ' D' ' 37' ' ' LYS . 0.4 OUTLIER -137.3 102.88 8.82 Favored Pre-proline 0 N--CA 1.442 -0.825 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -177.393 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' D' ' 40' ' ' ASP . 24.0 Cg_endo -65.05 -45.79 7.24 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.292 1.995 . . . . 10.0 112.238 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.22 -53.51 7.26 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.737 1.014 . . . . 10.0 113.737 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.72 -33.8 73.43 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 114.52 1.304 . . . . 10.0 114.52 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.562 ' CD1' ' HB2' ' D' ' 40' ' ' ASP . 5.0 mp -76.54 -32.9 58.5 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.899 0.703 . . . . 10.0 112.899 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.94 91.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.958 0.409 . . . . 10.0 110.936 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.42 -32.52 70.17 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.78 -0.645 . . . . 10.0 111.398 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -72.8 -36.17 67.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.327 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . 0.539 ' HB3' ' HZ1' ' C' ' 66' ' ' LYS . 48.0 mt-30 -60.99 -43.08 99.39 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.201 0.313 . . . . 10.0 111.729 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 59.8 p -68.4 -40.16 81.42 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.72 0.637 . . . . 10.0 112.72 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -77.74 -19.16 55.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.963 0.411 . . . . 10.0 111.423 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.92 -46.66 51.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.659 -0.701 . . . . 10.0 109.637 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 69.4 p -74.0 -27.48 60.98 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.443 -0.799 . . . . 10.0 110.574 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -62.35 -35.93 80.64 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.03 -36.64 83.81 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.431 -0.804 . . . . 10.0 108.842 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . 0.478 ' OD1' HG21 ' B' ' 71' ' ' ILE . 0.8 OUTLIER -56.44 -53.24 59.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 114.439 -1.255 . . . . 10.0 111.514 179.139 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.03 -29.04 64.85 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 113.429 0.9 . . . . 10.0 113.429 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.41 -45.1 92.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.034 0.445 . . . . 10.0 110.583 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -31.11 50.12 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.244 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -63.11 -55.91 21.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.575 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.06 -31.43 72.65 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.531 0.567 . . . . 10.0 112.531 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . 0.401 ' O ' HG23 ' D' ' 65' ' ' VAL . 51.5 tt0 -69.51 -49.93 49.92 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.146 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' D' ' 66' ' ' LYS . 92.5 p -68.59 -32.44 72.35 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.509 0.559 . . . . 10.0 112.509 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.987 ' HB3' ' HD3' ' C' ' 80' ' ' ARG . 4.2 m120 -65.83 -37.19 85.56 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.49 0.552 . . . . 10.0 112.49 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 33.7 p -69.77 -37.6 76.45 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . 0.428 HG23 ' H ' ' D' ' 65' ' ' VAL . 2.1 t -59.42 -44.42 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 120.921 0.391 . . . . 10.0 111.927 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' D' ' 62' ' ' SER . 33.7 mmtm -70.64 -36.52 73.47 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.788 1.033 . . . . 10.0 113.788 -177.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.528 ' O ' HG12 ' D' ' 71' ' ' ILE . 91.7 t -79.77 -42.42 22.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.383 0.882 . . . . 10.0 113.383 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -61.36 -34.71 75.76 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.064 0.459 . . . . 10.0 110.271 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -72.92 -35.04 66.97 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.123 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.6 -37.58 87.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.552 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . 0.528 HG12 ' O ' ' D' ' 67' ' ' VAL . 39.6 mm -64.46 -47.97 87.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.147 0.498 . . . . 10.0 110.403 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . 0.61 ' O ' HG12 ' D' ' 76' ' ' ILE . 3.0 t70 -67.83 -27.96 67.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.657 -0.701 . . . . 10.0 111.58 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.5 87.77 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.144 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.71 -34.14 75.14 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.105 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 68.3 mt -68.45 -37.81 78.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.903 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . 0.61 HG12 ' O ' ' D' ' 72' ' ' ASP . 46.5 mm -61.26 -37.9 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.166 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -67.54 -35.53 79.24 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.293 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -95.86 10.61 36.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.284 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -91.06 28.41 1.61 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.736 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.346 -0.835 . . . . 10.0 110.875 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.712 0.292 . . . . 10.0 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.41 114.05 26.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.421 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 p -95.59 128.72 36.94 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.634 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -70.19 137.99 35.45 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.73 2.286 . . . . 10.0 111.525 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.553 ' HZ2' HD23 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -76.42 110.46 10.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.74 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.2 p -141.73 153.68 44.78 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 111.783 0.29 . . . . 10.0 111.783 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.99 168.46 41.6 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.522 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -66.66 -37.97 85.87 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' D' ' 39' ' ' SER . 0.6 OUTLIER -74.92 -30.61 61.31 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.774 179.503 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.451 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 13.9 m-20 -69.43 -34.99 75.25 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.291 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -71.51 -36.18 70.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.26 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.643 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -73.49 -28.08 24.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-O 120.877 0.37 . . . . 10.0 111.753 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.2 m -73.27 -43.27 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 10.0 110.836 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.42 -25.64 62.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.906 -0.588 . . . . 10.0 112.145 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.643 ' HG2' ' O ' ' A' ' 12' ' ' VAL . 18.2 ptmt -70.14 -38.39 75.51 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.57 0.224 . . . . 10.0 111.259 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' O ' HG22 ' A' ' 20' ' ' VAL . 13.4 m-85 -70.34 -34.57 72.81 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.115 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -66.23 -50.94 62.08 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.055 0.761 . . . . 10.0 113.055 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -68.17 -23.63 64.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 10.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.27 -36.0 70.33 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.538 -0.756 . . . . 10.0 113.315 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 16' ' ' PHE . 29.3 m -115.76 31.85 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.948 0.404 . . . . 10.0 111.271 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.77 -7.11 46.21 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.458 ' O ' HG22 ' A' ' 25' ' ' THR . 17.0 t-20 -116.33 -23.74 8.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 10.0 109.924 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -65.77 -30.69 71.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.937 -1.029 . . . . 10.0 110.992 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -62.84 -44.99 94.66 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.284 0.475 . . . . 10.0 112.284 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 22' ' ' ASN . 12.3 t -68.74 -26.31 65.18 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.785 0.326 . . . . 10.0 111.278 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -69.75 -27.53 65.03 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.173 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 23' ' ' LEU . 21.9 t -72.76 -45.03 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.496 -0.32 . . . . 10.0 110.61 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.5 p -68.26 -26.68 65.8 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.476 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.45 ' O ' ' HD3' ' A' ' 33' ' ' LYS . 26.2 tt0 -66.45 -49.44 66.67 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.236 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.25 -24.19 63.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.756 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.5 tp -70.83 -36.3 72.84 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.95 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -67.64 -38.29 83.62 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.767 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HD3' ' O ' ' A' ' 29' ' ' GLU . 5.5 mppt? -71.38 -26.41 62.77 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.488 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -77.87 -26.03 49.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.847 -179.55 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -23.16 63.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.27 6.38 24.53 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 44.4 mmtm -116.56 126.73 27.3 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.602 0.239 . . . . 10.0 111.619 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 9.7 Cg_exo -72.56 -68.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.993 2.462 . . . . 10.0 111.2 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -121.8 123.91 42.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.525 . . . . 10.0 109.609 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.673 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -137.67 98.81 9.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.488 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 26.4 Cg_endo -63.76 -41.35 24.7 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.468 2.112 . . . . 10.0 112.631 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.27 -43.06 43.41 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.673 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.1 mm? -70.34 -27.33 64.27 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.117 0.784 . . . . 10.0 113.117 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.77 -31.85 67.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.553 0.216 . . . . 10.0 111.535 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.78 75.64 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.37 -0.377 . . . . 10.0 110.833 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.41 65.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.428 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -72.27 -35.16 68.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.828 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -67.67 -43.25 80.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.859 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 m -69.18 -39.08 78.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.258 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -73.38 -27.41 61.46 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.382 0.512 . . . . 10.0 112.382 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -72.64 -39.45 67.19 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 109.584 -0.524 . . . . 10.0 109.584 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.3 m -71.01 -29.74 65.77 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.001 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.44 -37.3 87.04 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.252 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -67.92 -35.65 78.82 Favored 'General case' 0 C--N 1.337 0.038 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.629 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -74.97 -19.83 59.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.531 -0.759 . . . . 10.0 111.07 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -73.36 -45.39 55.3 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.585 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -33.44 66.86 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.894 0.378 . . . . 10.0 111.234 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.24 -41.37 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.199 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 59' ' ' ASN . 1.4 t-20 -77.38 -32.59 55.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.257 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.79 83.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.725 0.297 . . . . 10.0 110.996 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.44 ' O ' HG22 ' A' ' 65' ' ' VAL . 32.1 tt0 -71.2 -41.27 70.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.328 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.444 ' HB2' ' HB1' ' B' ' 45' ' ' ALA . 51.5 p -71.87 -25.6 62.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.584 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 67' ' ' VAL . 68.1 m-20 -76.16 -36.86 58.55 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 111.921 0.341 . . . . 10.0 111.921 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -42.6 88.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.741 0.305 . . . . 10.0 111.209 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.591 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 15.8 m -80.01 -15.02 13.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.983 0.735 . . . . 10.0 112.983 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 62' ' ' SER . 3.6 ttpp -85.28 -47.53 9.96 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 120.655 -0.418 . . . . 10.0 111.673 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 63' ' ' ASN . 6.5 t -69.22 -35.47 68.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 10.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CZ ' ' HD3' ' D' ' 41' ' ' PRO . 10.5 t80 -70.48 -39.53 74.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.966 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -65.84 -33.42 75.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.165 179.135 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.12 -47.29 74.62 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.799 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.807 HD11 ' HB3' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -70.05 -34.55 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.062 0.458 . . . . 10.0 111.071 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -67.22 -46.82 72.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.97 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.93 -33.89 67.43 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.62 -48.6 76.65 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.004 0.43 . . . . 10.0 110.374 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.83 -50.59 74.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.818 0.818 . . . . 10.0 110.186 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.594 HD11 HD13 ' D' ' 44' ' ' LEU . 0.8 OUTLIER -56.41 -44.93 81.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.836 -1.074 . . . . 10.0 113.518 -179.035 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -76.7 -11.24 59.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.12 0.486 . . . . 10.0 111.688 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.537 ' C ' ' H ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -77.57 -19.11 56.18 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.584 178.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.68 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 41.9 m-85 -66.95 28.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.254 177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.537 ' H ' ' C ' ' A' ' 78' ' ' ASN . 43.9 ttp180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.5 -0.762 . . . . 10.0 111.515 -178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.766 0.317 . . . . 10.0 110.909 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.86 120.32 27.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 25.2 p -100.33 125.45 39.44 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.058 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.67 131.84 27.11 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.753 2.302 . . . . 10.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.73 111.46 8.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.619 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 28.9 p -148.47 144.47 27.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.309 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.34 169.24 35.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.0 -0.619 . . . . 10.0 112.232 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -66.68 -38.78 87.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.311 . . . . 10.0 111.263 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.18 -30.13 63.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.883 -0.598 . . . . 10.0 110.827 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.79 -35.12 69.91 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.005 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -68.98 -36.09 77.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.776 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.33 -36.14 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.989 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 49.7 m -66.48 -48.28 70.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.011 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.81 -23.37 61.54 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.306 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -42.19 95.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.704 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.595 ' O ' HG22 ' B' ' 20' ' ' VAL . 16.0 m-85 -75.68 -34.97 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.615 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.27 -52.58 53.45 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 114.539 1.311 . . . . 10.0 114.539 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 11.5 m -64.43 -24.88 67.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.194 0.521 . . . . 10.0 110.866 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.47 -39.92 29.19 Favored Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 114.885 0.714 . . . . 10.0 114.885 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.595 HG22 ' O ' ' B' ' 16' ' ' PHE . 34.0 m -108.44 31.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.441 0.639 . . . . 10.0 111.8 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -80.18 18.66 0.83 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.951 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.439 ' O ' HG22 ' B' ' 25' ' ' THR . 13.9 t-20 -129.5 -33.83 1.85 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.536 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.651 ' O ' HG23 ' B' ' 27' ' ' VAL . 2.4 pp -68.29 -21.37 64.79 Favored 'General case' 0 C--O 1.226 -0.135 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.418 ' N ' HD12 ' B' ' 23' ' ' LEU . 56.6 tt0 -61.79 -45.17 95.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.67 0.271 . . . . 10.0 110.998 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.439 HG22 ' O ' ' B' ' 22' ' ' ASN . 14.6 t -71.92 -26.06 62.15 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.862 0.363 . . . . 10.0 110.349 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -71.38 -26.92 62.99 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.074 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 23' ' ' LEU . 60.2 t -72.74 -45.46 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 109.832 -0.433 . . . . 10.0 109.832 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 40.2 p -68.94 -26.75 65.23 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.716 -0.675 . . . . 10.0 111.175 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.468 ' O ' ' HD3' ' B' ' 33' ' ' LYS . 25.9 tt0 -66.77 -48.78 68.0 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.046 -0.525 . . . . 10.0 109.934 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.91 -24.26 63.35 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.763 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.47 -36.06 71.06 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.015 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -66.97 -40.07 87.35 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.506 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' B' ' 29' ' ' GLU . 6.3 mppt? -71.6 -21.88 61.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.135 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -74.65 -34.08 62.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.048 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.15 -12.07 60.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.822 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.55 8.1 29.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.335 . . . . 10.0 111.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 44.7 mmtm -126.66 127.49 24.48 Favored Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.592 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 14.8 Cg_exo -70.85 -60.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.835 2.357 . . . . 10.0 110.479 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 63.3 m -128.69 124.26 35.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.6 OUTLIER -137.1 95.91 11.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 32.3 Cg_endo -64.47 -32.42 59.8 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.389 2.059 . . . . 10.0 111.175 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.19 -51.27 12.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.336 -0.847 . . . . 10.0 112.256 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.0 mm? -69.55 -22.97 63.51 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.407 0.892 . . . . 10.0 113.407 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 tp -72.24 -32.7 66.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 10.0 110.797 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' A' ' 62' ' ' SER . . . -73.31 -37.53 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.727 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.24 -33.3 65.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.558 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -72.62 -34.17 67.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.86 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -68.3 -43.57 77.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.542 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -69.18 -38.5 78.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.115 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -74.19 -30.6 62.3 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.228 -0.442 . . . . 10.0 112.024 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -69.16 -38.24 78.65 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.516 ' O ' HD13 ' B' ' 56' ' ' LEU . 49.9 m -73.08 -29.2 62.77 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.411 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.498 ' HA ' HD22 ' B' ' 56' ' ' LEU . 21.9 mt-10 -63.28 -36.84 85.0 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.486 -0.561 . . . . 10.0 109.486 177.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -66.45 -36.4 82.7 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.643 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -74.14 -20.99 60.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.828 -0.623 . . . . 10.0 110.959 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.516 HD13 ' O ' ' B' ' 52' ' ' SER . 1.0 OUTLIER -67.34 -46.87 72.16 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.8 0.334 . . . . 10.0 110.39 179.788 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -41.76 61.09 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.502 0.556 . . . . 10.0 112.502 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -50.6 35.92 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.897 1.073 . . . . 10.0 113.897 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -74.05 -23.93 59.46 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.917 1.08 . . . . 10.0 113.917 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.41 -38.11 63.18 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.688 -0.856 . . . . 10.0 108.688 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -69.31 -34.38 74.58 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 108.756 -0.831 . . . . 10.0 108.756 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 40.2 t -71.4 -36.93 71.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.268 -0.878 . . . . 10.0 110.465 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.68 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 21.4 m-20 -75.55 -35.51 60.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.409 -0.814 . . . . 10.0 112.33 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 18.5 p -69.91 -41.27 74.89 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.72 -19.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.359 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -77.18 -48.18 18.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.429 HG22 ' OXT' ' A' ' 80' ' ' ARG . 7.8 t -67.65 -37.92 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -65.29 -39.67 92.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.121 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' B' ' 69' ' ' LYS . 28.2 mmtp -69.31 -34.62 74.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.575 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.72 -47.93 70.81 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.817 0.303 . . . . 10.0 111.817 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.01 -35.9 66.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 121.201 0.524 . . . . 10.0 111.395 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -72.49 -32.32 66.1 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.979 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.45 -33.06 75.06 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.643 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.35 93.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.086 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.553 HG12 ' HB2' ' D' ' 62' ' ' SER . 43.4 mt -68.58 -51.12 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.373 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.47 -43.21 86.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.097 -0.502 . . . . 10.0 112.175 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -71.84 -18.51 62.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.956 0.408 . . . . 10.0 110.786 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.87 -27.61 62.01 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.82 -0.627 . . . . 10.0 111.387 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -75.17 74.26 2.31 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.343 -0.389 . . . . 10.0 112.006 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.46 -0.781 . . . . 10.0 111.281 179.379 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.73 0.3 . . . . 10.0 110.948 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.74 114.9 23.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.787 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 22.0 p -103.32 123.05 43.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.262 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.36 149.37 56.65 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.848 2.365 . . . . 10.0 112.71 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -76.19 114.37 14.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.048 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 36.1 p -140.41 128.69 22.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 10.0 111.579 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.26 164.56 31.51 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.957 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -65.94 -35.29 80.19 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.849 0.357 . . . . 10.0 111.405 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.03 -29.49 60.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.101 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -72.69 -34.93 67.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.449 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -71.62 -36.95 70.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.98 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.856 HG11 HG21 ' C' ' 64' ' ' THR . 8.2 p -74.65 -27.5 20.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 111.933 0.346 . . . . 10.0 111.933 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 63.6 m -69.8 -47.8 61.48 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.763 0.316 . . . . 10.0 110.693 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.56 -23.35 63.55 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.591 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -64.99 -41.16 95.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.666 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.436 ' O ' HG22 ' C' ' 20' ' ' VAL . 29.1 m-85 -77.33 -31.42 54.51 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.402 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -65.39 -42.64 92.43 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 8.4 m -76.29 -24.5 54.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.835 0.35 . . . . 10.0 111.188 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.6 -36.08 75.65 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.956 -0.64 . . . . 10.0 112.772 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' C' ' 23' ' ' LEU . 30.6 m -111.06 30.91 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.73 0.3 . . . . 10.0 111.653 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.24 -18.73 63.91 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.883 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -108.96 -19.45 13.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.511 0.672 . . . . 10.0 109.846 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.529 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 2.9 tm? -65.87 -34.31 77.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.226 -0.897 . . . . 10.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.07 -45.73 93.55 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -68.42 -26.26 65.44 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.737 0.303 . . . . 10.0 111.633 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -71.16 -26.86 63.17 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.568 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.479 HG23 ' O ' ' C' ' 23' ' ' LEU . 16.7 t -73.2 -45.15 54.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.82 0.343 . . . . 10.0 110.392 179.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 34.4 p -68.17 -25.21 65.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.497 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.23 -49.31 61.57 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.019 0.437 . . . . 10.0 110.413 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.06 -25.09 65.18 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.282 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.65 -40.55 76.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.258 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -63.84 -32.09 73.48 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.424 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -71.58 -31.92 67.49 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.731 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.95 -24.6 43.83 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.771 -0.65 . . . . 10.0 111.542 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.04 -39.89 13.73 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.056 0.761 . . . . 10.0 113.056 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.93 24.55 5.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 114.193 1.183 . . . . 10.0 114.193 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.461 ' HB3' ' OD2' ' C' ' 40' ' ' ASP . 0.0 OUTLIER -104.96 122.12 44.3 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.149 178.461 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.63 -73.06 0.03 OUTLIER 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 123.028 2.486 . . . . 10.0 112.55 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 2.6 p -136.81 125.04 23.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.003 0.43 . . . . 10.0 110.751 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.2 OUTLIER -135.13 98.38 12.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.685 -0.689 . . . . 10.0 111.031 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.9 -35.82 75.78 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.769 2.313 . . . . 10.0 112.679 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.28 47.28 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.7 mm? -72.46 -22.98 60.99 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 112.589 0.589 . . . . 10.0 112.589 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.76 -31.64 66.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.548 0.213 . . . . 10.0 111.416 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.75 -40.8 75.91 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.813 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.81 63.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.335 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' C' ' 51' ' ' LEU . 45.5 t80 -71.65 -38.87 70.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.573 -0.74 . . . . 10.0 110.565 179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -68.64 -40.41 80.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.843 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -69.04 -44.3 72.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.347 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -70.17 -30.1 67.16 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' C' ' 47' ' ' TYR . 0.5 OUTLIER -65.31 -51.78 58.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.448 179.625 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -67.36 -28.98 68.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.632 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -58.45 -36.47 73.72 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.191 -0.67 . . . . 10.0 109.191 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -69.17 -36.97 77.93 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.219 -0.9 . . . . 10.0 109.48 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -71.68 -26.34 62.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.669 -0.696 . . . . 10.0 112.385 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.479 ' HA ' HD13 ' C' ' 56' ' ' LEU . 0.9 OUTLIER -74.06 -41.22 62.06 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.672 0.619 . . . . 10.0 112.672 -179.578 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -35.93 68.73 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.986 0.422 . . . . 10.0 110.92 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.807 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -73.07 -40.61 64.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.81 -179.469 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -75.99 -24.54 55.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.957 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.89 68.61 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.516 -0.311 . . . . 10.0 110.772 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -70.86 -43.2 68.93 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.681 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' C' ' 66' ' ' LYS . 27.8 p -70.53 -23.09 62.57 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' C' ' 66' ' ' LYS . 31.9 m-20 -76.55 -38.75 54.53 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . 0.856 HG21 HG11 ' C' ' 12' ' ' VAL . 4.6 m -64.4 -46.69 82.2 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.998 0.427 . . . . 10.0 110.039 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.613 ' O ' ' HB2' ' C' ' 69' ' ' LYS . 22.4 m -74.69 -13.66 15.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.699 178.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' C' ' 62' ' ' SER . 0.0 OUTLIER -78.27 -49.52 13.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.899 0.381 . . . . 10.0 110.682 179.629 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.91 -42.88 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.255 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -63.04 -45.25 93.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.851 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' C' ' 65' ' ' VAL . 0.0 OUTLIER -68.27 -34.05 75.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.884 0.698 . . . . 10.0 112.884 -179.522 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -48.62 77.82 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.766 0.284 . . . . 10.0 111.766 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 32.5 pt -74.68 -29.75 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.659 0.266 . . . . 10.0 111.476 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 26.7 t70 -72.53 -35.05 67.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.634 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.59 -27.36 63.08 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.808 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -43.86 74.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.3 -0.409 . . . . 10.0 110.206 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 59.7 mt -74.73 -43.06 47.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.58 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . 0.641 HG13 ' ND2' ' D' ' 63' ' ' ASN . 1.7 tp -62.22 -33.37 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.784 -0.644 . . . . 10.0 112.195 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -84.9 -18.28 35.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.92 0.39 . . . . 10.0 110.35 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' C' ' 80' ' ' ARG . 0.1 OUTLIER -77.67 -11.81 59.91 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.971 -0.559 . . . . 10.0 109.862 178.564 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . 0.64 ' HD2' ' HA ' ' C' ' 76' ' ' ILE . 10.1 m-85 -72.0 28.91 0.05 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.399 -0.819 . . . . 10.0 112.276 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' C' ' 78' ' ' ASN . 26.8 mtm180 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.343 -0.837 . . . . 10.0 110.714 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.761 0.315 . . . . 10.0 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.86 119.24 25.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 24.4 p -100.68 125.81 37.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.947 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.65 135.52 39.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.686 2.258 . . . . 10.0 112.382 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.46 111.52 10.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.619 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 23.9 p -147.38 146.98 29.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.579 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.34 170.95 37.24 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.867 -0.606 . . . . 10.0 112.007 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -66.5 -40.71 89.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.736 0.303 . . . . 10.0 111.665 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.596 ' H ' HD23 ' D' ' 9' ' ' LEU . 1.0 OUTLIER -74.43 -26.06 59.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.198 -0.455 . . . . 10.0 111.398 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -72.06 -35.92 69.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.277 -0.419 . . . . 10.0 111.355 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -71.12 -36.2 72.05 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.623 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -67.35 -38.23 80.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.952 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 69.4 m -65.72 -47.1 76.48 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.455 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.41 -24.29 64.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.53 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -68.72 -36.71 78.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.805 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.522 ' O ' HG22 ' D' ' 20' ' ' VAL . 23.1 m-85 -76.4 -36.33 58.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.284 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.23 -44.33 88.57 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.196 -0.456 . . . . 10.0 112.221 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 14.4 m -76.6 -25.99 54.51 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.83 0.348 . . . . 10.0 111.008 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.73 82.27 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.083 -0.579 . . . . 10.0 113.033 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.522 HG22 ' O ' ' D' ' 16' ' ' PHE . 35.8 m -111.68 31.73 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.952 0.406 . . . . 10.0 111.269 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.34 -21.89 66.75 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.713 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -101.35 -13.94 17.81 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.98 0.419 . . . . 10.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.429 ' O ' HG23 ' D' ' 27' ' ' VAL . 1.6 tm? -69.28 -35.32 75.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -61.15 -43.12 99.37 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 14.5 t -71.58 -26.49 62.63 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -72.36 -30.54 64.81 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.625 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.429 HG23 ' O ' ' D' ' 23' ' ' LEU . 64.7 t -73.41 -41.71 56.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.068 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 46.5 p -69.17 -25.65 64.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.219 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.435 ' O ' ' HD3' ' D' ' 33' ' ' LYS . 25.1 tt0 -69.32 -47.2 65.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.173 -0.467 . . . . 10.0 109.885 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.23 -23.74 63.92 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.314 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tp -68.18 -39.09 82.6 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.773 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -70.62 -39.07 73.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.138 -0.483 . . . . 10.0 112.221 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . 0.435 ' HD3' ' O ' ' D' ' 29' ' ' GLU . 9.4 mtpt -71.58 -36.17 70.78 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -24.4 52.67 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.39 0.515 . . . . 10.0 112.39 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.56 -49.01 48.07 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.269 . . -103.89 25.38 9.96 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 114.488 1.292 . . . . 10.0 114.488 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -121.82 107.52 35.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 107.879 -1.156 . . . . 10.0 107.879 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.51 -74.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.693 2.262 . . . . 10.0 113.458 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 9' ' ' LEU . 12.5 m -100.13 130.81 46.31 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.953 -0.758 . . . . 10.0 108.953 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 29.1 m-20 -132.0 105.08 13.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 113.75 1.018 . . . . 10.0 113.75 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.479 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 41.0 Cg_endo -70.04 -51.75 0.34 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 120.931 1.088 . . . . 10.0 111.644 178.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.28 6.8 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 113.505 0.928 . . . . 10.0 113.505 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.465 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.3 mm? -59.06 -27.28 65.37 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.594 HD13 HD11 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -82.74 -31.06 28.59 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.601 0.593 . . . . 10.0 112.601 -179.62 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.34 -35.81 80.14 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.763 0.316 . . . . 10.0 110.874 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.35 -43.41 60.75 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.947 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.77 -32.65 74.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.507 -0.769 . . . . 10.0 110.386 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . 0.417 ' OE1' HG21 ' C' ' 65' ' ' VAL . 17.5 tm0? -65.0 -52.65 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.519 -0.764 . . . . 10.0 112.782 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 46.8 m -64.96 -38.1 89.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.203 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -72.29 -26.54 62.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 114.352 1.242 . . . . 10.0 114.352 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -39.74 66.23 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.075 -0.65 . . . . 10.0 109.365 178.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -69.18 -28.66 66.6 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.72 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.43 -37.48 87.46 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.703 -0.48 . . . . 10.0 109.703 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -69.9 -32.01 70.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.476 -0.784 . . . . 10.0 108.997 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -75.75 -23.4 56.0 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.094 -0.957 . . . . 10.0 112.038 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' D' ' 56' ' ' LEU . 0.7 OUTLIER -74.02 -41.32 62.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -179.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.35 -30.66 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 10.0 111.204 179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -40.92 47.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.948 -0.569 . . . . 10.0 112.267 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . 0.424 HD22 ' HA ' ' D' ' 59' ' ' ASN . 1.3 t-20 -78.71 -40.92 32.31 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.605 0.594 . . . . 10.0 112.605 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.15 90.0 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.726 0.269 . . . . 10.0 111.726 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.73 -37.74 82.61 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . 0.553 ' HB2' HG12 ' B' ' 75' ' ' ILE . 38.8 t -70.3 -28.14 64.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.353 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.641 ' ND2' HG13 ' C' ' 76' ' ' ILE . 84.5 m-20 -76.65 -37.69 55.84 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 20.0 p -63.72 -39.99 95.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.899 0.381 . . . . 10.0 110.661 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 15.2 t -77.61 -25.17 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.419 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -66.61 -47.79 71.56 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.614 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.403 HG23 ' O ' ' D' ' 63' ' ' ASN . 40.4 t -64.77 -48.71 83.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 CA-C-N 116.443 -0.344 . . . . 10.0 111.214 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -59.35 -46.12 89.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.765 -0.652 . . . . 10.0 112.366 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' D' ' 69' ' ' LYS . 26.0 mmtp -62.99 -34.68 78.07 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -47.84 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 32.7 pt -72.02 -32.6 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -72.28 -33.27 67.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.459 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.36 -31.29 71.44 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.686 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.96 -38.23 79.29 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.07 -0.513 . . . . 10.0 110.702 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 57.3 mt -72.34 -45.54 60.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.107 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 98.6 mt -61.53 -36.29 72.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -78.98 -16.46 56.9 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.837 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -20.8 56.62 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.35 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -77.8 29.82 0.16 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.628 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.174 -0.917 . . . . 10.0 111.04 -179.527 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.736 0.303 . . . . 10.0 110.965 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.58 140.42 29.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.062 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 p -97.29 126.48 41.7 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.244 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -70.13 142.94 47.57 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.724 2.283 . . . . 10.0 112.845 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 60.8 t90 -72.42 110.81 7.09 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.404 -0.817 . . . . 10.0 110.297 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -158.69 115.53 2.77 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.9 165.43 30.62 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 115.485 0.954 . . . . 10.0 115.485 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -39.32 86.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.269 -0.965 . . . . 10.0 109.583 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' B' ' 49' ' ' SER . 0.0 OUTLIER -75.57 -29.16 59.24 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.341 -0.845 . . . . 10.0 111.526 179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.91 -39.14 90.3 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.607 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -74.63 -35.94 62.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.371 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.38 -41.94 89.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.618 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.8 m -67.18 -42.2 84.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.24 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -23.02 62.12 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.259 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -67.2 -43.67 81.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.878 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -73.7 -27.5 61.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.288 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -63.61 -48.44 77.33 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -71.52 -23.58 61.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 10.0 110.171 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.53 -40.66 90.88 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.579 -0.737 . . . . 10.0 113.295 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 m -114.91 31.27 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.388 . . . . 10.0 111.504 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.04 -45.46 85.33 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' O ' HG22 ' A' ' 25' ' ' THR . 8.5 t-20 -91.43 -14.61 30.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.402 0.62 . . . . 10.0 110.129 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.9 tm? -66.73 -38.78 87.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.354 -0.839 . . . . 10.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -63.75 -36.73 84.85 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.161 0.8 . . . . 10.0 113.161 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 22' ' ' ASN . 12.2 t -72.99 -26.4 61.33 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.798 0.332 . . . . 10.0 111.021 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -74.35 -24.26 59.14 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.613 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 23' ' ' LEU . 58.2 t -71.24 -46.52 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.045 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.5 p -70.32 -29.04 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.419 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -70.35 -41.06 73.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.015 0.436 . . . . 10.0 110.218 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.89 -24.25 52.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.298 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.7 tp -67.91 -43.65 78.74 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.611 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.81 -31.14 67.79 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.247 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -66.95 -38.78 86.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.266 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -71.89 -39.13 69.79 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.006 -0.543 . . . . 10.0 111.195 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.13 -19.98 59.63 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.75 -8.82 42.69 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.164 0.431 . . . . 10.0 112.164 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 46.1 mmtm -118.67 136.45 24.16 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.752 -0.204 . . . . 10.0 110.948 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 46.8 Cg_exo -57.72 -69.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.014 2.476 . . . . 10.0 111.866 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 p -133.51 123.51 25.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.329 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -138.04 94.54 11.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.757 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 23.6 Cg_endo -63.34 -32.88 71.99 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.482 2.121 . . . . 10.0 112.58 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.39 -45.64 37.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.246 -0.434 . . . . 10.0 112.119 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.49 -22.12 61.1 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 111.794 0.294 . . . . 10.0 111.794 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.9 tp -72.79 -33.5 66.3 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.543 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.03 88.84 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.34 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.15 64.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.659 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -72.38 -41.33 66.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.167 -0.47 . . . . 10.0 111.478 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -66.75 -33.94 76.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.37 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.9 m -76.08 -41.18 51.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.489 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 67.9 mmtt -74.75 -27.52 60.38 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.16 -35.14 61.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.978 0.418 . . . . 10.0 110.316 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.3 p -74.57 -29.14 61.23 Favored 'General case' 0 C--O 1.23 0.048 0 CA-C-N 115.866 -0.607 . . . . 10.0 110.406 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.62 -36.85 83.58 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.088 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -68.71 -35.48 77.22 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.729 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -65.6 -43.61 89.13 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.038 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.32 -28.65 65.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.585 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.53 -58.3 6.76 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.843 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -70.03 -20.39 63.26 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -74.29 -35.44 63.71 Favored 'General case' 0 C--N 1.334 -0.09 0 N-CA-C 109.942 -0.392 . . . . 10.0 109.942 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.6 63.91 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.345 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 65' ' ' VAL . 14.7 mm-40 -69.05 -42.76 75.87 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.625 -0.716 . . . . 10.0 111.705 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.0 p -71.37 -28.24 63.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.048 0.388 . . . . 10.0 112.048 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.8 -37.73 62.28 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.286 0.476 . . . . 10.0 112.286 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 p -69.91 -47.54 62.09 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.924 0.713 . . . . 10.0 112.924 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 1.4 m -72.86 -20.6 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -77.91 -48.47 16.26 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 111.824 0.305 . . . . 10.0 111.824 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.5 t -73.98 -42.61 52.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 111.947 0.351 . . . . 10.0 111.947 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -58.98 -40.6 85.31 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 111.633 0.234 . . . . 10.0 111.633 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -72.7 -34.68 67.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.29 179.361 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.53 -41.04 98.6 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.595 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.64 HG13 ' O ' ' A' ' 67' ' ' VAL . 1.4 mt -64.59 -47.29 89.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 178.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.675 ' HA ' HD11 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -60.15 -26.98 66.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 113.898 -1.501 . . . . 10.0 113.578 -178.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.34 -36.44 61.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.946 0.403 . . . . 10.0 110.238 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -45.01 69.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.696 -0.684 . . . . 10.0 112.09 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.675 HD11 ' HA ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -60.05 -43.95 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 -178.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.6 HG12 ' O ' ' A' ' 72' ' ' ASP . 12.4 pt -74.02 -24.32 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 N-CA-C 112.957 0.725 . . . . 10.0 112.957 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -69.41 -23.83 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.595 -0.52 . . . . 10.0 109.595 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -74.58 -35.92 63.02 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 115.366 -0.833 . . . . 10.0 109.578 177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.792 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 3.5 m-85 -71.73 129.78 39.52 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 107.649 -1.241 . . . . 10.0 107.649 176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.629 ' O ' ' HA ' ' B' ' 63' ' ' ASN . 7.8 tpt180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.01 -0.995 . . . . 10.0 112.176 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.718 0.294 . . . . 10.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.01 144.64 26.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.058 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m -97.22 120.77 60.5 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.43 136.81 37.86 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.653 2.236 . . . . 10.0 112.442 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -68.59 113.88 6.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.482 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 9.4 p -156.48 109.77 2.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.566 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.77 162.02 38.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.85 -0.691 . . . . 10.0 113.05 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.444 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.8 OUTLIER -66.77 -45.55 78.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.693 0.282 . . . . 10.0 111.273 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -21.79 59.22 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.651 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.88 -40.12 94.62 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.666 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.82 -36.4 62.43 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.646 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' ' 8' ' ' TYR . 99.2 t -62.74 -46.53 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.176 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 70.1 m -66.14 -37.95 86.93 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.397 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.92 -22.93 62.18 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.178 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.576 ' HD3' ' HA ' ' D' ' 32' ' ' ASP . 0.3 OUTLIER -69.44 -43.53 73.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.415 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -71.96 -27.76 62.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.075 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.26 -52.91 62.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.452 -0.795 . . . . 10.0 112.288 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -71.86 -22.1 61.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.45 -51.01 60.66 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 114.807 -1.088 . . . . 10.0 114.645 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.693 HG12 HD21 ' B' ' 23' ' ' LEU . 30.9 m -112.35 26.09 3.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.938 0.399 . . . . 10.0 110.918 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.24 -28.96 70.09 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.899 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.495 ' O ' HG22 ' B' ' 25' ' ' THR . 8.8 t-20 -100.51 -31.97 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.549 0.574 . . . . 10.0 112.549 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.693 HD21 HG12 ' B' ' 20' ' ' VAL 0.282 2.8 pp -70.61 -21.7 62.62 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -62.4 -41.32 98.57 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.676 0.274 . . . . 10.0 110.842 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.495 HG22 ' O ' ' B' ' 22' ' ' ASN . 9.4 t -73.67 -26.08 60.56 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.982 0.42 . . . . 10.0 110.015 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -72.44 -24.47 61.22 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.442 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 23' ' ' LEU . 98.2 t -72.58 -45.69 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 N-CA-C 109.66 -0.496 . . . . 10.0 109.66 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.3 p -69.37 -27.15 65.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.734 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -74.51 -39.01 62.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.075 -0.511 . . . . 10.0 109.807 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.95 -24.26 52.37 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.122 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 tp -68.63 -44.15 74.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.021 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.7 -30.93 67.62 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.676 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -65.6 -39.68 91.84 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.637 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -70.58 -39.12 74.05 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.01 -16.03 60.03 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.629 0.603 . . . . 10.0 112.629 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.34 -20.07 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.181 0.437 . . . . 10.0 112.181 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -110.24 143.83 28.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.646 -0.252 . . . . 10.0 110.933 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.09 -69.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.725 2.283 . . . . 10.0 111.106 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 19.1 p -135.16 124.47 24.68 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.436 ' OD2' ' HB2' ' B' ' 43' ' ' LEU . 0.8 OUTLIER -136.84 95.98 11.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 111.973 0.361 . . . . 10.0 111.973 -178.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 28.6 Cg_endo -63.74 -30.98 69.42 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.687 2.258 . . . . 10.0 112.188 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.11 -49.31 29.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.964 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.436 ' HB2' ' OD2' ' B' ' 40' ' ' ASP . 3.5 mm? -72.98 -21.81 60.79 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.068 0.396 . . . . 10.0 112.068 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.45 -35.3 65.72 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.709 0.29 . . . . 10.0 110.25 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.86 -36.42 82.27 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.0 -34.07 64.04 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.656 -0.702 . . . . 10.0 110.417 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -72.09 -38.22 69.41 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.05 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -66.48 -37.1 84.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.17 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.475 ' HB3' HD21 ' A' ' 9' ' ' LEU . 49.7 m -74.03 -38.5 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.359 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' B' ' 50' ' ' LYS . 68.6 mmtt -75.92 -33.87 59.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.932 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 tp -68.63 -36.51 78.71 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.811 -0.44 . . . . 10.0 109.811 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 95.0 p -73.71 -28.19 61.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.407 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.51 -35.23 78.72 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.854 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -66.53 -33.7 76.26 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.469 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 49.5 t30 -70.02 -28.5 65.54 Favored 'General case' 0 C--O 1.228 -0.076 0 CA-C-N 115.296 -0.866 . . . . 10.0 109.306 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.521 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -72.2 -31.49 65.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.143 -0.935 . . . . 10.0 110.591 179.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -70.91 -56.11 6.95 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.591 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -67.59 -25.27 65.69 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 113.166 0.802 . . . . 10.0 113.166 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 1.4 m-80 -75.54 -50.94 14.12 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.797 0.295 . . . . 10.0 111.797 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.05 -31.88 73.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.644 0.259 . . . . 10.0 110.547 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -65.84 -42.46 90.49 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.581 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 15.9 t -70.92 -33.21 70.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.509 -0.769 . . . . 10.0 111.657 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.792 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 82.3 m-20 -73.45 -41.23 63.47 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 39.6 p -68.85 -48.66 62.92 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 113.056 0.762 . . . . 10.0 113.056 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.4 t -64.81 -31.49 54.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.215 0.45 . . . . 10.0 112.215 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -67.11 -48.27 68.65 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.54 0.57 . . . . 10.0 112.54 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.542 ' O ' HG12 ' B' ' 71' ' ' ILE . 20.4 t -66.85 -44.39 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -59.74 -44.21 93.88 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -71.41 -36.14 71.25 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.3 -44.07 84.51 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.929 0.395 . . . . 10.0 110.97 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.542 HG12 ' O ' ' B' ' 67' ' ' VAL . 8.6 mm -66.06 -43.83 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.453 ' O ' HG13 ' B' ' 76' ' ' ILE . 1.3 t70 -64.74 -31.65 72.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.754 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.78 -30.89 68.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.629 -0.26 . . . . 10.0 111.222 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.74 -40.67 76.04 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 42.8 pt -69.69 -31.45 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.453 HG13 ' O ' ' B' ' 72' ' ' ASP . 66.3 mt -71.2 -33.67 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-O 120.877 0.37 . . . . 10.0 110.027 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -70.59 -25.64 63.16 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.405 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -73.76 -30.55 62.84 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.172 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -82.76 132.6 35.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.052 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.467 ' HD2' ' HA ' ' B' ' 80' ' ' ARG . 8.7 tpt180 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.13 -0.938 . . . . 10.0 111.272 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.768 0.318 . . . . 10.0 111.216 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.74 146.44 24.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.208 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 17.8 p -102.3 133.78 20.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.255 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.64 155.01 35.33 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.788 2.325 . . . . 10.0 112.35 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -71.87 110.73 6.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.628 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 22.7 p -159.7 117.0 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.355 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.79 169.85 20.49 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.647 -0.787 . . . . 10.0 113.083 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -34.41 77.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.096 0.474 . . . . 10.0 110.48 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.62 HD11 HG12 ' C' ' 65' ' ' VAL . 21.5 tp -71.97 -33.62 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 10.0 111.759 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.89 -39.14 93.07 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.349 0.5 . . . . 10.0 112.349 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.39 -40.09 67.51 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.415 0.524 . . . . 10.0 112.415 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.974 HG11 HG21 ' C' ' 64' ' ' THR . 65.2 t -67.29 -43.14 88.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 112.348 0.499 . . . . 10.0 112.348 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 70.0 m -63.32 -44.5 94.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.578 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.66 -22.95 62.43 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.392 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -64.88 -42.65 94.62 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.889 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.509 ' HB3' ' HE1' ' C' ' 57' ' ' TYR . 57.9 m-85 -77.59 -28.45 51.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.796 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -64.91 -39.79 94.07 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -76.86 -25.5 53.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.931 0.396 . . . . 10.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.44 -36.39 62.93 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 121.02 -0.61 . . . . 10.0 112.653 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.438 HG22 ' O ' ' C' ' 16' ' ' PHE . 34.2 m -109.37 25.1 3.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.66 0.267 . . . . 10.0 111.593 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -61.36 -45.67 93.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.252 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . 0.463 ' O ' HG22 ' C' ' 25' ' ' THR . 6.4 t-20 -95.04 -10.66 30.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.203 0.525 . . . . 10.0 110.55 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.415 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.1 tm? -69.26 -38.52 78.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.547 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -65.17 -35.44 81.09 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.463 HG22 ' O ' ' C' ' 22' ' ' ASN . 6.7 t -73.15 -26.7 61.3 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.044 -0.262 . . . . 10.0 111.001 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -76.38 -24.3 54.11 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.273 -0.422 . . . . 10.0 109.87 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.415 HG23 ' O ' ' C' ' 23' ' ' LEU . 40.4 t -68.82 -45.33 81.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.345 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.0 p -73.97 -28.02 61.28 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.214 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -69.22 -42.63 75.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.196 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.07 51.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.798 -0.637 . . . . 10.0 111.478 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 26.3 tp -66.65 -46.71 74.88 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.803 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.11 -30.66 66.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.175 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -59.73 -48.1 83.02 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.677 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -75.76 -34.81 60.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.503 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.4 -33.98 75.83 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.011 0.745 . . . . 10.0 113.011 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.35 20.97 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.496 0.924 . . . . 10.0 113.496 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -127.4 129.88 23.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.366 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -46.73 -72.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.728 2.952 . . . . 10.0 113.077 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 18.0 p -149.5 125.06 10.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.679 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.436 ' OD1' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -137.45 100.98 9.14 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.516 -179.493 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 24.1 Cg_endo -63.69 -30.85 69.82 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.287 1.991 . . . . 10.0 112.27 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.31 -46.61 32.35 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.207 -0.451 . . . . 10.0 112.143 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.436 ' HB2' ' OD1' ' C' ' 40' ' ' ASP . 3.4 mm? -72.67 -22.34 60.93 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 46.9 tp -71.5 -33.45 69.26 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.86 0.362 . . . . 10.0 110.585 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.68 78.55 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.363 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.25 64.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.999 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -72.11 -40.46 68.12 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.24 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -67.64 -36.5 80.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.252 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -73.34 -39.09 65.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.505 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 63.0 mmtt -74.23 -29.01 61.51 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tp -74.46 -34.5 63.16 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.67 0.272 . . . . 10.0 111.21 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -74.99 -29.53 60.92 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.508 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.37 -36.52 83.99 Favored 'General case' 0 C--O 1.231 0.085 0 N-CA-C 109.082 -0.711 . . . . 10.0 109.082 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -70.07 -34.13 72.81 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.353 -0.84 . . . . 10.0 110.032 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -66.15 -51.74 54.95 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' C' ' 56' ' ' LEU . 2.3 mm? -68.19 -28.81 67.59 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . 0.509 ' HE1' ' HB3' ' C' ' 16' ' ' PHE . 1.2 t80 -67.37 -48.89 66.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.071 0.462 . . . . 10.0 110.579 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.813 ' HE ' ' HA ' ' D' ' 42' ' ' ALA . 3.9 mmt-85 -65.31 -38.61 90.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.535 -0.757 . . . . 10.0 111.945 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -69.11 -28.06 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.764 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.0 -33.98 68.51 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.916 0.388 . . . . 10.0 110.006 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.48 ' O ' HG13 ' C' ' 65' ' ' VAL . 14.7 mm-40 -67.19 -44.73 78.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.004 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' C' ' 66' ' ' LYS . 32.4 p -70.96 -26.77 63.31 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.359 0.503 . . . . 10.0 112.359 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -72.19 -45.86 58.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.595 -0.275 . . . . 10.0 111.651 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . 0.974 HG21 HG11 ' C' ' 12' ' ' VAL . 2.1 m -67.37 -45.92 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.084 0.401 . . . . 10.0 112.084 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.62 HG12 HD11 ' C' ' 9' ' ' LEU . 8.9 m -65.46 -28.85 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' C' ' 62' ' ' SER . 8.6 tmtt? -82.76 -38.35 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.786 0.291 . . . . 10.0 111.786 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . 0.489 ' O ' HG13 ' C' ' 71' ' ' ILE . 72.4 t -70.83 -51.95 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -63.57 -38.39 90.94 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.034 0.753 . . . . 10.0 113.034 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.464 ' HA ' ' HD2' ' C' ' 69' ' ' LYS . 4.7 mmmm -70.62 -34.71 72.4 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 120.739 -0.385 . . . . 10.0 111.698 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -34.01 77.16 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.493 -0.321 . . . . 10.0 110.892 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . 0.489 HG13 ' O ' ' C' ' 67' ' ' VAL . 64.1 mt -69.75 -44.38 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 CA-C-N 116.235 -0.438 . . . . 10.0 110.075 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 3.2 m-20 -64.77 -27.79 69.13 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.949 -0.568 . . . . 10.0 111.618 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.4 68.97 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.776 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.9 -44.13 61.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.441 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.412 HG13 ' O ' ' C' ' 71' ' ' ILE . 13.8 mt -66.86 -38.35 81.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 121.009 0.433 . . . . 10.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . 0.454 HG13 ' ND2' ' D' ' 63' ' ' ASN . 1.5 tp -66.69 -33.75 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.681 -0.69 . . . . 10.0 112.126 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -75.74 -23.89 56.08 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.288 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -71.24 -31.33 67.42 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -82.3 127.27 33.05 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.168 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . 0.46 ' HA ' ' HD2' ' C' ' 80' ' ' ARG . 17.1 mmm180 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.165 -0.921 . . . . 10.0 111.158 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.799 0.333 . . . . 10.0 111.159 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.71 142.47 27.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.036 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m -95.34 120.64 63.58 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.25 138.8 44.13 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.677 2.251 . . . . 10.0 112.278 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -68.38 113.43 5.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.425 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 12.3 p -154.69 112.58 3.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.72 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.01 158.55 33.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.869 -0.681 . . . . 10.0 112.992 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.88 -48.27 69.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.687 0.28 . . . . 10.0 111.223 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -74.43 -22.3 59.2 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.701 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.64 -40.22 92.29 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.13 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.6 -36.48 62.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.175 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.24 -44.28 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.44 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 70.4 m -65.42 -44.22 88.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.373 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.24 -23.4 65.7 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.548 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 -39.22 78.19 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.48 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.423 ' O ' HG22 ' D' ' 20' ' ' VAL . 37.4 m-85 -76.41 -28.83 56.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.967 -0.561 . . . . 10.0 111.27 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -64.93 -45.31 86.34 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.335 -0.393 . . . . 10.0 111.429 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 5.5 m -78.47 -26.04 45.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.349 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.18 -38.67 95.49 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 121.106 -0.569 . . . . 10.0 113.048 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.423 HG22 ' O ' ' D' ' 16' ' ' PHE . 31.0 m -118.99 32.1 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.963 0.411 . . . . 10.0 111.247 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.09 -45.08 95.1 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.915 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -82.14 -13.6 56.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.981 0.419 . . . . 10.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.465 ' O ' HG23 ' D' ' 27' ' ' VAL . 2.6 tt -70.88 -27.49 63.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -61.38 -47.19 86.96 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.229 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 13.4 t -72.12 -26.01 61.95 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.658 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -71.81 -30.29 65.35 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.409 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.465 HG23 ' O ' ' D' ' 23' ' ' LEU . 90.0 t -72.66 -44.11 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.144 0 CA-C-N 116.442 -0.345 . . . . 10.0 110.546 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 37.4 p -70.53 -27.37 64.11 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.442 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -71.06 -42.11 69.87 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.973 0.416 . . . . 10.0 110.33 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.94 -23.89 58.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.821 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.429 HD21 HG22 ' B' ' 12' ' ' VAL . 51.8 tp -70.78 -38.57 73.42 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.154 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . 0.576 ' HA ' ' HD3' ' B' ' 15' ' ' LYS . 0.8 OUTLIER -70.52 -41.83 72.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.381 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -24.67 61.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.439 0.533 . . . . 10.0 112.439 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -71.66 -53.05 14.84 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.488 -0.323 . . . . 10.0 111.549 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . 0.416 ' HB3' ' HG2' ' B' ' 15' ' ' LYS . . . -75.61 -12.68 60.26 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.359 . . -98.35 8.72 44.46 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 113.114 0.783 . . . . 10.0 113.114 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -136.62 108.3 9.26 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 114.15 -1.386 . . . . 10.0 107.364 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.502 ' O ' HD12 ' B' ' 56' ' ' LEU . 97.5 Cg_exo -48.11 -74.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.155 2.57 . . . . 10.0 114.02 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 1.8 m -99.88 121.83 41.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' D' ' 41' ' ' PRO . 7.9 p-10 -142.1 89.29 8.79 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 115.471 1.656 . . . . 10.0 115.471 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' D' ' 40' ' ' ASP . 17.8 Cg_endo -64.75 -45.28 8.81 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.817 1.678 . . . . 10.0 111.966 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.813 ' HA ' ' HE ' ' C' ' 58' ' ' ARG . . . -74.53 -51.05 15.78 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.36 -25.68 68.4 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.97 -30.94 65.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.29 -39.54 64.03 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.912 0.387 . . . . 10.0 110.589 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.59 -35.87 68.02 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.39 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 31.1 t80 -65.43 -44.96 85.7 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -68.53 -35.79 77.94 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 60.6 m -76.07 -41.44 50.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -77.83 -28.92 50.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 4.6 tp -72.2 -37.0 69.36 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 120.868 0.366 . . . . 10.0 110.303 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 83.7 p -73.87 -29.56 62.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.408 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -65.84 -37.09 85.29 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -69.23 -34.39 74.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.538 -0.755 . . . . 10.0 109.337 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -63.94 -49.44 72.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.923 -1.035 . . . . 10.0 111.826 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.0 mm? -68.42 -27.1 65.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.07 0.767 . . . . 10.0 113.07 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -63.65 -49.22 74.09 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.641 0.258 . . . . 10.0 111.587 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -70.53 -30.83 67.68 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -73.95 -37.0 64.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.016 0.436 . . . . 10.0 111.114 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.68 -29.62 63.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.77 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -70.03 -39.33 75.84 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.175 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 32.7 p -71.59 -27.61 63.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.029 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.454 ' ND2' HG13 ' C' ' 76' ' ' ILE . 94.8 m-20 -75.83 -37.44 59.04 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 7.9 p -69.14 -42.09 76.45 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 12.9 p -77.06 -22.08 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 112.062 0.393 . . . . 10.0 112.062 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 29.9 tptp -80.6 -40.88 24.93 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.985 0.365 . . . . 10.0 111.985 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . . . . . . . . . 8.9 p -76.04 -33.34 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.79 -36.06 62.49 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.8 0.333 . . . . 10.0 111.556 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' D' ' 69' ' ' LYS . 64.1 mmtt -73.16 -35.0 66.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 10.0 112.084 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.39 -47.92 77.37 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.907 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . 0.449 ' O ' HG13 ' D' ' 75' ' ' ILE . 15.6 tt -67.69 -37.45 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.869 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . 0.457 ' O ' HG13 ' D' ' 76' ' ' ILE . 5.0 t70 -69.0 -34.85 75.95 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.448 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.78 -32.87 74.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.307 -0.406 . . . . 10.0 111.391 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.69 -37.6 79.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.316 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . 0.449 HG13 ' O ' ' D' ' 71' ' ' ILE . 17.1 mt -64.86 -40.04 87.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.245 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . 0.457 HG13 ' O ' ' D' ' 72' ' ' ASP . 21.7 mt -67.65 -31.52 52.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.267 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -69.72 -28.55 65.92 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.304 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -74.95 -30.53 61.24 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.45 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -80.12 123.87 28.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.302 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' D' ' 80' ' ' ARG . 7.3 tpt180 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.154 -0.927 . . . . 10.0 111.275 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.733 0.302 . . . . 10.0 111.05 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.89 102.72 11.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.837 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.1 m -127.53 119.38 21.65 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.741 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.0 154.32 75.01 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.766 2.311 . . . . 10.0 112.067 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.91 112.05 11.93 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.588 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -154.74 152.11 29.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.198 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.03 -175.22 36.94 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.813 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 12' ' ' VAL . 12.6 t80 -67.89 -40.48 83.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.429 -0.385 . . . . 10.0 110.599 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.828 HD11 HG12 ' A' ' 65' ' ' VAL . 16.1 tp -71.15 -33.86 70.44 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.453 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -71.93 -27.85 63.08 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.429 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.84 -40.59 68.94 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.87 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 8' ' ' TYR . 41.2 t -69.06 -36.15 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.016 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.3 t -66.45 -46.42 76.5 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.545 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.24 -22.51 61.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.245 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -62.32 -46.84 86.92 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.033 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.581 ' O ' HG22 ' A' ' 20' ' ' VAL . 43.8 m-85 -72.23 -32.51 66.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.134 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -65.57 -51.32 60.65 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.485 0.55 . . . . 10.0 112.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -69.89 -23.34 63.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.245 0.545 . . . . 10.0 109.748 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' C' ' 35' ' ' ALA . . . -71.59 -43.31 52.88 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.431 -0.804 . . . . 10.0 112.527 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 34.3 m -106.04 31.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.767 0.318 . . . . 10.0 111.429 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.02 -50.53 73.37 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.262 -0.427 . . . . 10.0 111.189 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -81.68 -15.79 53.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.194 0.521 . . . . 10.0 110.501 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.652 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.0 tm? -71.26 -39.99 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.314 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.12 -39.28 94.24 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.136 -0.484 . . . . 10.0 112.104 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 14.0 t -71.83 -25.8 62.12 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.576 -0.283 . . . . 10.0 111.19 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -73.58 -28.05 61.63 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.965 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 23' ' ' LEU . 39.6 t -69.93 -45.5 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-O 120.974 0.416 . . . . 10.0 110.04 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.6 p -73.95 -29.67 62.13 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.627 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 25' ' ' THR . 2.0 tm-20 -67.84 -41.88 82.26 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.032 0.444 . . . . 10.0 110.152 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.14 -23.82 54.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.67 -0.695 . . . . 10.0 110.888 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 tp -70.84 -40.55 72.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.412 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -70.27 -31.37 68.7 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.648 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 81.5 mttt -68.38 -44.32 75.38 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.967 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -25.82 68.2 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.88 -18.36 63.41 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.3 6.3 10.7 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.906 0.336 . . . . 10.0 111.906 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 45.2 mmtm -113.41 119.81 41.13 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-N 116.695 -0.23 . . . . 10.0 111.567 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 17.0 Cg_exo -68.84 -66.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.935 2.424 . . . . 10.0 111.14 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 p -120.86 125.2 46.91 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.899 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -136.89 97.45 11.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 112.753 0.649 . . . . 10.0 112.753 -178.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 31.3 Cg_endo -65.65 -43.63 9.73 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.578 2.185 . . . . 10.0 112.165 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.24 -39.79 53.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.155 -0.475 . . . . 10.0 112.055 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.899 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.2 mm? -71.74 -20.37 61.9 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.022 0.378 . . . . 10.0 112.022 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -71.1 -41.04 71.13 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.014 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.12 -30.88 68.18 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.476 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.8 -45.0 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.986 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -71.8 -36.25 70.23 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 111.821 0.304 . . . . 10.0 111.821 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -40.84 97.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.5 t -75.04 -41.39 59.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.401 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -69.09 -34.78 75.65 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.588 0.588 . . . . 10.0 112.588 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.4 tp -75.03 -35.59 61.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.527 -0.306 . . . . 10.0 110.825 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.8 p -72.21 -32.33 66.66 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.913 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.48 -36.15 78.53 Favored 'General case' 0 C--N 1.333 -0.118 0 N-CA-C 109.433 -0.58 . . . . 10.0 109.433 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -64.69 -31.01 72.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.496 -0.775 . . . . 10.0 110.341 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -66.31 -43.51 86.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.185 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 56' ' ' LEU . 3.1 mm? -72.05 -28.77 63.56 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.396 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.01 -50.98 66.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.806 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -68.36 -30.64 69.63 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.384 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -72.87 -32.02 65.12 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.351 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.92 -37.63 70.01 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.807 0.336 . . . . 10.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -72.95 -39.7 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.394 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.4 p -71.24 -30.53 66.44 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.102 0.408 . . . . 10.0 112.102 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -75.02 -35.51 61.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.087 0.403 . . . . 10.0 112.087 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 p -70.12 -38.67 75.65 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.828 HG12 HD11 ' A' ' 9' ' ' LEU . 28.6 m -75.8 -22.15 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.732 0.301 . . . . 10.0 111.038 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.649 ' HE2' ' HA ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -75.48 -48.3 23.27 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -179.385 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.61 -36.36 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 112.978 0.733 . . . . 10.0 112.978 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -67.54 -34.25 76.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.455 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 16.2 mmmt -74.3 -34.81 63.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.616 0.599 . . . . 10.0 112.616 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -60.74 -49.12 78.79 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 123.187 0.305 . . . . 10.0 110.85 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.725 HD11 HH11 ' C' ' 58' ' ' ARG . 0.1 OUTLIER -61.39 -36.95 76.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.752 ' HA ' HD12 ' A' ' 75' ' ' ILE . 6.2 t70 -67.64 -25.74 65.88 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.4 -50.07 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.052 0.453 . . . . 10.0 109.869 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.7 64.27 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.545 0.688 . . . . 10.0 109.439 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 72' ' ' ASP . 1.6 mt -57.97 -55.83 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 114.331 -1.304 . . . . 10.0 111.915 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.688 HG13 ' O ' ' A' ' 72' ' ' ASP 0.254 2.0 pp -76.38 -14.67 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 114.339 1.237 . . . . 10.0 114.339 -178.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -36.27 75.73 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.812 0.671 . . . . 10.0 112.812 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -92.99 -17.65 23.65 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.089 0.471 . . . . 10.0 110.989 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.756 ' HE1' ' CD2' ' D' ' 47' ' ' TYR . 0.6 OUTLIER -76.94 154.48 33.59 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.981 179.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.798 ' HD3' HD21 ' D' ' 51' ' ' LEU . 2.9 ttt180 . . . . . 0 N--CA 1.443 -0.808 0 CA-C-O 117.592 -1.194 . . . . 10.0 109.075 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.7 0.286 . . . . 10.0 111.061 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.66 104.33 13.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.725 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.7 m -127.2 121.77 22.78 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 10.0 110.956 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.93 147.58 85.04 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.72 2.28 . . . . 10.0 111.77 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.4 111.57 9.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.453 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 24.2 p -155.04 150.45 27.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' B' ' 10' ' ' ASP . . . -160.2 -174.09 29.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 10.0 112.304 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.421 ' O ' HG23 ' B' ' 12' ' ' VAL . 22.7 t80 -67.21 -44.55 79.28 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.593 0.235 . . . . 10.0 111.259 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -31.05 67.84 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.951 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.449 ' HB2' ' H ' ' B' ' 7' ' ' GLY . 16.9 m-20 -72.24 -28.56 63.23 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.275 -0.421 . . . . 10.0 110.618 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -71.55 -43.76 65.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.796 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.921 HG11 HG21 ' B' ' 64' ' ' THR . 12.0 t -68.75 -32.11 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.765 0.317 . . . . 10.0 111.192 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 47.0 t -66.93 -45.51 77.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.325 -0.398 . . . . 10.0 109.989 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.19 -22.11 60.53 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.808 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -62.39 -44.79 95.61 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.918 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.544 ' O ' HG22 ' B' ' 20' ' ' VAL . 33.7 m-85 -75.8 -32.23 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.784 -0.644 . . . . 10.0 111.025 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.0 -51.73 55.75 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 10.0 m -68.36 -23.27 64.66 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.596 -0.891 . . . . 10.0 108.596 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.21 -51.17 23.85 Favored Glycine 0 N--CA 1.438 -1.178 0 CA-C-N 114.789 -1.096 . . . . 10.0 112.408 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.641 ' HB ' ' HB3' ' B' ' 23' ' ' LEU . 35.7 m -97.17 31.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 10.0 111.783 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.78 -49.2 78.46 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.032 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -83.84 -15.97 46.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.171 0.51 . . . . 10.0 110.478 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.641 ' HB3' ' HB ' ' B' ' 20' ' ' VAL . 1.8 tm? -71.64 -40.05 69.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 10.0 110.621 179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -60.72 -40.54 92.72 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.944 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' B' ' 29' ' ' GLU . 15.4 t -73.19 -25.75 60.9 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.325 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -73.26 -28.05 61.91 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.209 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 23' ' ' LEU . 44.7 t -72.18 -44.97 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.882 0.372 . . . . 10.0 110.168 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.9 p -72.45 -28.75 63.13 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.859 -0.61 . . . . 10.0 111.103 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' B' ' 25' ' ' THR . 2.0 tm-20 -68.87 -40.84 79.06 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.04 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.35 -24.14 54.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.859 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 38.9 tp -72.28 -40.63 67.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.526 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -70.14 -31.29 68.73 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.53 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 78.5 mttt -69.32 -38.96 78.46 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.765 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -26.22 66.79 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.18 -0.464 . . . . 10.0 112.076 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.42 -12.27 60.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.405 -0.362 . . . . 10.0 111.381 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.32 6.2 11.18 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.59 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 44.8 mmtm -118.67 121.06 31.11 Favored Pre-proline 0 C--N 1.332 -0.184 0 N-CA-C 111.721 0.267 . . . . 10.0 111.721 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 17.0 Cg_exo -69.49 -53.63 0.28 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.901 2.401 . . . . 10.0 110.992 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 36.5 p -135.11 124.58 24.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.363 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.787 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -137.24 96.96 10.93 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -179.164 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 30.9 Cg_endo -65.32 -41.33 16.26 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.606 2.204 . . . . 10.0 112.229 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.74 -41.49 53.15 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.087 -0.506 . . . . 10.0 112.057 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.787 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.7 mm? -71.8 -20.59 61.83 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.877 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.504 ' HB2' ' O ' ' B' ' 40' ' ' ASP . 1.5 tt -72.63 -40.35 66.5 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.08 -31.27 65.92 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.445 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.44 62.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.664 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -70.83 -33.74 70.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.069 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -40.41 95.02 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.809 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 42.3 t -76.01 -38.91 56.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -70.71 -39.42 73.42 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.855 0.687 . . . . 10.0 112.855 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 34.0 tp -72.29 -32.41 66.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.03 0.443 . . . . 10.0 110.304 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 59.7 p -74.43 -29.23 61.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.301 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.679 ' HA ' HD23 ' B' ' 56' ' ' LEU . 51.3 mt-10 -72.3 -35.02 68.57 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 177.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -65.14 -30.01 70.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.463 -0.79 . . . . 10.0 109.584 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.65 -45.19 83.9 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.307 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.679 HD23 ' HA ' ' B' ' 53' ' ' GLU . 0.6 OUTLIER -69.72 -28.83 66.15 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.874 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.3 -52.65 61.08 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.59 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.95 -25.64 64.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.012 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.488 ' HB3' HD13 ' A' ' 76' ' ' ILE . 11.0 m-20 -77.34 -30.68 54.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.998 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.67 -52.2 27.82 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -59.01 -43.87 91.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.292 -0.867 . . . . 10.0 111.858 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 88.3 p -63.97 -43.88 94.44 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.169 0.433 . . . . 10.0 112.169 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.521 ' HB3' ' O ' ' A' ' 79' ' ' PHE . 13.6 m-80 -71.08 -33.39 70.17 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 112.295 0.48 . . . . 10.0 112.295 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.921 HG21 HG11 ' B' ' 12' ' ' VAL . 16.9 m -65.91 -50.33 64.81 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.835 0.35 . . . . 10.0 111.281 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 m -73.15 -14.08 16.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 112.491 0.552 . . . . 10.0 112.491 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' B' ' 66' ' ' LYS . 18.7 tptp -75.21 -51.28 13.71 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.661 ' HB ' ' HD2' ' A' ' 80' ' ' ARG 0.264 96.6 t -81.63 -28.15 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 113.433 0.901 . . . . 10.0 113.433 -179.307 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -70.02 -36.86 75.42 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.63 0.252 . . . . 10.0 110.655 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.848 ' HE2' ' HA ' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -73.03 -35.2 66.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.536 179.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -64.71 -48.73 73.58 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.964 0.411 . . . . 10.0 111.037 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.548 ' O ' HG13 ' B' ' 75' ' ' ILE . 10.7 tp -65.73 -30.56 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.353 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.664 ' HA ' HD12 ' B' ' 75' ' ' ILE . 32.9 t70 -72.5 -29.5 63.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.636 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.02 95.34 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.63 -0.507 . . . . 10.0 109.63 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.0 -32.24 73.34 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.605 -0.725 . . . . 10.0 110.873 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' B' ' 72' ' ' ASP . 59.2 mt -60.7 -49.58 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.099 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.413 HG13 ' H ' ' B' ' 76' ' ' ILE . 3.5 mt -64.43 -27.03 41.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.869 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.63 -35.99 79.96 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -98.93 0.72 44.63 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.947 0.403 . . . . 10.0 111.633 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -113.65 144.08 43.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.548 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.149 -0.929 . . . . 10.0 111.526 179.706 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.8 0.334 . . . . 10.0 110.978 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.64 101.82 11.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.737 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 21.4 m -132.04 121.13 17.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.842 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.58 162.09 43.29 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.691 2.26 . . . . 10.0 111.758 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.76 110.49 9.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.731 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -144.09 152.81 41.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.003 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.93 -177.64 43.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.677 -0.773 . . . . 10.0 112.657 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.87 -39.21 87.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.836 0.351 . . . . 10.0 110.671 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.85 -32.61 71.08 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.324 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.02 -29.47 65.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.015 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.19 -37.52 69.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.317 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 29.3 t -70.31 -39.29 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.464 -0.335 . . . . 10.0 111.422 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -65.18 -45.42 84.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.514 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.21 -22.62 61.99 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.166 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -61.78 -45.02 95.69 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.632 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.587 ' O ' HG22 ' C' ' 20' ' ' VAL . 59.5 m-85 -77.1 -32.82 56.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.769 -0.65 . . . . 10.0 111.71 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -64.2 -44.16 92.83 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.8 m -76.18 -26.3 56.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.893 0.377 . . . . 10.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.82 -40.03 64.7 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 121.047 -0.596 . . . . 10.0 112.554 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.587 HG22 ' O ' ' C' ' 16' ' ' PHE . 33.8 m -105.22 30.65 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-O 120.791 0.329 . . . . 10.0 111.557 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.84 -54.34 46.28 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.026 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . 0.497 ' O ' HG22 ' C' ' 25' ' ' THR . 7.5 t-20 -82.4 -15.62 52.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.275 0.559 . . . . 10.0 110.402 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.514 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.2 tm? -70.72 -40.44 72.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.228 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -65.31 -36.05 82.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.814 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.497 HG22 ' O ' ' C' ' 22' ' ' ASN . 5.5 t -71.48 -25.96 62.5 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.119 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -75.39 -26.19 58.25 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.617 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.437 HG23 ' O ' ' C' ' 23' ' ' LEU . 76.1 t -68.87 -44.66 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.111 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.851 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 36.9 p -77.28 -27.25 53.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.564 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' C' ' 25' ' ' THR . 1.3 tm-20 -67.85 -43.4 79.59 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.935 0.398 . . . . 10.0 110.441 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.3 -24.06 50.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.434 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 22.4 tp -70.64 -40.59 72.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.126 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.83 -30.7 67.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.827 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' C' ' 37' ' ' LYS . 81.4 mttt -68.36 -48.72 64.04 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.789 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -25.35 67.2 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.028 -0.533 . . . . 10.0 112.258 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HA3' ' A' ' 19' ' ' GLY . . . -57.93 -31.32 66.71 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.26 0.467 . . . . 10.0 112.26 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.24 24.82 5.89 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 113.416 0.895 . . . . 10.0 113.416 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' C' ' 33' ' ' LYS . 35.9 mmtm -114.97 111.95 44.93 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.115 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' C' ' 37' ' ' LYS . 18.9 Cg_endo -60.05 -68.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.778 2.319 . . . . 10.0 112.659 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 37.1 p -128.14 124.52 37.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.331 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.4 OUTLIER -137.19 98.86 10.09 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.882 -179.704 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 29.6 Cg_endo -65.34 -38.67 25.53 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.628 2.219 . . . . 10.0 112.306 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.03 -41.93 49.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.336 -0.393 . . . . 10.0 111.924 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.701 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.2 mm? -72.46 -20.64 61.36 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' C' ' 40' ' ' ASP . 0.6 OUTLIER -68.82 -39.4 80.04 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.678 0.275 . . . . 10.0 110.479 179.224 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.03 -30.64 62.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.458 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.24 -42.55 65.54 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.056 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -71.41 -34.92 70.77 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.183 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 16.6 tm0? -66.06 -39.93 90.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.86 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.3 t -74.64 -39.15 62.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.55 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' C' ' 50' ' ' LYS . 23.5 mmtm -69.84 -35.85 75.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.529 0.566 . . . . 10.0 112.529 -179.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 tp -75.32 -34.39 61.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.257 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 91.3 p -75.32 -29.9 60.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.538 -0.301 . . . . 10.0 111.036 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.76 -35.87 79.49 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 107.893 -1.151 . . . . 10.0 107.893 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -66.37 -26.66 67.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 114.322 -1.308 . . . . 10.0 108.949 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -65.1 -50.13 67.3 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.922 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.92 -26.62 60.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.619 0.6 . . . . 10.0 112.619 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -59.79 -54.11 50.06 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.725 HH11 HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -69.68 -33.58 72.75 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 111.777 0.288 . . . . 10.0 111.777 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -67.39 -31.78 72.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.04 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.63 -33.15 58.37 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.887 0.375 . . . . 10.0 110.689 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.651 ' O ' HG23 ' C' ' 65' ' ' VAL . 46.8 tt0 -71.11 -50.0 38.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.994 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 95.3 p -64.23 -28.31 69.65 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.575 0.226 . . . . 10.0 111.154 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -69.24 -44.19 72.48 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.535 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 20.9 p -66.03 -37.15 85.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.374 -0.375 . . . . 10.0 112.011 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.651 HG23 ' O ' ' C' ' 61' ' ' GLN . 3.1 t -65.97 -42.64 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.915 0.388 . . . . 10.0 110.088 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . 0.636 ' HA ' ' HE2' ' C' ' 66' ' ' LYS . 0.3 OUTLIER -67.17 -47.69 70.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.974 0.731 . . . . 10.0 112.974 -178.613 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 85.2 t -68.44 -48.9 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 113.672 0.99 . . . . 10.0 113.672 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -65.47 -32.37 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.995 0.739 . . . . 10.0 112.995 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 25.9 mmmt -73.36 -34.08 65.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.519 0.562 . . . . 10.0 112.519 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -61.67 -48.84 78.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.754 0.312 . . . . 10.0 111.274 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . 0.418 ' O ' HG13 ' C' ' 75' ' ' ILE . 13.9 tt -68.0 -33.56 61.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.578 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . 0.441 ' O ' HG12 ' C' ' 76' ' ' ILE . 29.3 t70 -67.2 -32.14 73.01 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.013 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.5 96.95 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.294 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.02 -34.23 68.67 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.676 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.418 HG13 ' O ' ' C' ' 71' ' ' ILE . 84.1 mt -61.83 -49.46 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.341 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . 0.712 ' HA ' ' HB3' ' C' ' 79' ' ' PHE . 31.9 mm -70.49 -21.8 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.613 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -65.18 -39.43 92.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.523 -0.308 . . . . 10.0 111.013 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -96.22 -3.35 44.37 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.89 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . 0.712 ' HB3' ' HA ' ' C' ' 76' ' ' ILE . 57.2 t80 -89.48 150.95 22.25 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.1 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . 0.456 ' HD2' HG11 ' D' ' 67' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.32 -0.848 . . . . 10.0 111.525 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.705 0.288 . . . . 10.0 111.042 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.03 102.05 12.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.812 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 21.8 m -127.14 121.3 22.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.889 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.61 151.24 83.2 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.676 2.251 . . . . 10.0 111.84 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.9 111.34 8.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.305 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 26.3 p -155.89 152.2 28.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.993 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.94 -172.79 35.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.947 -0.644 . . . . 10.0 112.225 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . 0.415 ' O ' HG23 ' D' ' 12' ' ' VAL . 17.0 t80 -67.01 -40.52 87.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.706 0.288 . . . . 10.0 111.193 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 45.5 tp -70.18 -33.94 72.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.978 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -71.89 -28.32 63.43 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.019 -0.537 . . . . 10.0 111.134 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -71.95 -39.95 69.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.066 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' D' ' 8' ' ' TYR . 40.4 t -68.49 -39.33 80.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 37.3 t -64.27 -46.07 85.3 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.24 -0.437 . . . . 10.0 110.73 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.81 61.61 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.493 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -64.56 -39.63 94.09 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.773 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.531 ' O ' HG22 ' D' ' 20' ' ' VAL . 47.4 m-85 -77.28 -37.86 51.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.691 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -64.92 -44.62 88.91 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -79.12 -28.87 42.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.349 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.33 -41.78 96.43 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.027 -0.606 . . . . 10.0 112.827 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.531 HG22 ' O ' ' D' ' 16' ' ' PHE . 34.3 m -112.72 33.72 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.019 0.438 . . . . 10.0 111.391 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -58.64 -43.04 89.6 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.379 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -79.45 -18.44 52.12 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.73 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.474 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.3 OUTLIER -71.22 -34.58 70.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.319 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -65.31 -41.24 94.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.167 -0.469 . . . . 10.0 112.027 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' D' ' 29' ' ' GLU . 15.4 t -72.42 -25.56 61.52 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.389 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -71.46 -30.65 66.25 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.362 -0.381 . . . . 10.0 111.16 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.474 HG23 ' O ' ' D' ' 23' ' ' LEU . 47.4 t -72.76 -41.25 61.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-N 116.456 -0.338 . . . . 10.0 110.443 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 35.7 p -74.09 -26.63 60.47 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.964 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' D' ' 25' ' ' THR . 2.1 tm-20 -72.29 -39.8 68.04 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.11 -23.9 59.38 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.262 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.23 -43.66 86.0 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.59 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.91 -31.82 68.57 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.375 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -69.27 -44.09 72.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.087 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -25.77 66.87 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.762 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.93 -40.12 66.46 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 113.052 0.76 . . . . 10.0 113.052 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.24 25.97 7.58 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.378 0.881 . . . . 10.0 113.378 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.15 103.2 52.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.155 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.06 -73.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 122.829 2.353 . . . . 10.0 112.734 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -85.04 141.04 30.56 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.745 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 27.5 m-20 -135.26 72.71 65.61 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 115.722 1.749 . . . . 10.0 115.722 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.38 -51.37 0.34 Allowed 'Trans proline' 0 CA--C 1.518 -0.292 0 C-N-CA 121.428 1.419 . . . . 10.0 111.334 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.32 -41.47 22.02 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.426 -1.261 . . . . 10.0 110.98 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.23 -19.62 65.88 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 115.183 -0.917 . . . . 10.0 112.928 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.745 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.7 OUTLIER -72.42 -49.57 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.48 -33.34 63.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.299 -0.41 . . . . 10.0 111.74 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.06 -53.6 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 10.0 112.16 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . 0.756 ' CD2' ' HE1' ' A' ' 79' ' ' PHE . 5.6 t80 -72.43 -43.76 63.37 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.762 1.023 . . . . 10.0 113.762 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . 0.61 ' HB2' HD13 ' D' ' 44' ' ' LEU . 0.9 OUTLIER -60.34 -44.31 95.65 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.852 0.316 . . . . 10.0 111.852 -179.292 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 38.2 t -67.74 -48.78 65.48 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.043 0.386 . . . . 10.0 112.043 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 27.8 mmtm -68.15 -28.91 67.71 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.798 HD21 ' HD3' ' A' ' 80' ' ' ARG . 5.9 tt -75.11 -43.21 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.322 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 79.8 p -69.36 -29.67 67.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.931 0.396 . . . . 10.0 110.157 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.84 -35.87 77.47 Favored 'General case' 0 CA--C 1.523 -0.063 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' D' ' 51' ' ' LEU . 50.8 t80 -60.26 -33.64 72.6 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.21 -0.904 . . . . 10.0 109.465 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.88 -50.95 68.87 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.056 -0.975 . . . . 10.0 110.956 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.0 mm? -73.83 -26.44 60.6 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -59.92 -49.99 75.51 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.714 0.293 . . . . 10.0 111.4 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . 0.464 ' CZ ' HG12 ' B' ' 75' ' ' ILE . 0.1 OUTLIER -71.07 -32.85 69.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.119 -179.479 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . 0.419 ' OD1' HD11 ' B' ' 71' ' ' ILE . 94.5 m-20 -69.55 -27.88 65.52 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.656 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.24 -41.78 66.44 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.642 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . 0.608 ' O ' HG23 ' D' ' 65' ' ' VAL . 38.6 tt0 -73.26 -37.17 66.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.476 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 91.6 p -69.47 -31.36 69.6 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.1 0.407 . . . . 10.0 112.1 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -74.21 -37.17 63.95 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 111.937 0.347 . . . . 10.0 111.937 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 19.1 p -69.09 -37.85 78.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . 0.608 HG23 ' O ' ' D' ' 61' ' ' GLN . 38.7 t -70.75 -33.01 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.871 0.367 . . . . 10.0 110.424 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -71.27 -48.29 51.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 10.0 112.41 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.456 HG11 ' HD2' ' C' ' 80' ' ' ARG . 62.8 t -68.05 -46.03 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.82 -31.63 72.69 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' D' ' 65' ' ' VAL . 2.0 tptp -72.92 -35.39 67.04 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.338 0.496 . . . . 10.0 112.338 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -64.93 -43.72 91.86 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.794 0.331 . . . . 10.0 110.907 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . 0.442 ' O ' HG13 ' D' ' 75' ' ' ILE . 83.0 mt -66.13 -42.49 91.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.919 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . 0.519 ' O ' HG13 ' D' ' 76' ' ' ILE . 32.3 t70 -62.95 -33.81 76.16 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.78 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.04 96.16 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.522 -0.308 . . . . 10.0 110.877 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.0 -32.03 70.01 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.086 -0.507 . . . . 10.0 111.017 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' D' ' 72' ' ' ASP . 96.3 mt -62.74 -47.79 91.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.311 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . 0.519 HG13 ' O ' ' D' ' 72' ' ' ASP . 15.4 mt -67.04 -26.99 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.477 -0.329 . . . . 10.0 111.406 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.66 -39.57 94.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.553 -0.294 . . . . 10.0 111.788 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -95.85 -2.11 48.1 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.811 0.339 . . . . 10.0 111.38 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . 0.423 ' HB3' ' HA ' ' D' ' 76' ' ' ILE . 25.1 t80 -99.79 142.47 31.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.214 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.077 -0.963 . . . . 10.0 111.271 179.385 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.698 0.285 . . . . 10.0 111.141 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.05 134.32 33.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 10.0 111.206 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' D' ' 36' ' ' ALA . 21.2 m -101.1 117.23 62.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.762 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.67 151.21 51.83 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.626 2.218 . . . . 10.0 111.89 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' NE1' HD23 ' B' ' 23' ' ' LEU . 89.1 t90 -69.92 109.73 4.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.681 -0.489 . . . . 10.0 109.681 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -158.68 129.2 6.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.794 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.93 177.9 16.51 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.007 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -30.88 71.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.716 0.293 . . . . 10.0 110.569 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.6 pt? -72.93 -29.54 63.2 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.116 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -72.56 -30.26 64.27 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.151 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -70.06 -36.62 75.1 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.974 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 54.5 t -74.74 -30.61 24.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.902 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.466 ' HA ' HE21 ' A' ' 61' ' ' GLN . 73.1 m -73.62 -29.73 62.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 10.0 110.237 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.79 -40.16 55.67 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.736 -0.665 . . . . 10.0 112.448 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.69 ' HE2' ' HA ' ' C' ' 35' ' ' ALA . 0.0 OUTLIER -64.69 -37.5 87.8 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 -179.663 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' O ' HG22 ' A' ' 20' ' ' VAL . 9.5 m-85 -76.58 -29.26 56.54 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.931 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -65.77 -52.54 50.09 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 113.01 0.745 . . . . 10.0 113.01 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 m -73.22 -22.87 60.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.427 0.632 . . . . 10.0 109.504 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.29 -52.66 41.98 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 114.991 -1.004 . . . . 10.0 113.75 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 16' ' ' PHE . 15.5 m -105.6 31.43 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.927 0.394 . . . . 10.0 110.999 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.31 -55.97 17.68 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.601 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.41 -11.75 59.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.276 0.56 . . . . 10.0 110.616 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 tm? -68.53 -33.38 74.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.516 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 64.9 mt-30 -59.05 -46.83 87.25 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.99 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.1 t -70.06 -26.47 64.03 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.537 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -70.21 -30.35 67.42 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.021 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 23' ' ' LEU . 47.8 t -68.41 -46.53 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-O 120.864 0.364 . . . . 10.0 110.231 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.4 p -71.01 -26.73 63.25 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.825 -0.625 . . . . 10.0 112.067 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' HD2' ' A' ' 33' ' ' LYS . 9.2 mm-40 -73.82 -43.97 57.16 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.58 -0.282 . . . . 10.0 111.227 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.28 -26.02 62.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.774 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.2 tp -73.08 -36.57 66.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.203 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -70.6 -37.95 73.95 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.636 -0.711 . . . . 10.0 111.074 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -70.16 -30.9 68.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.48 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.86 -25.92 48.97 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.255 -0.43 . . . . 10.0 111.359 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.14 73.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.855 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.29 -9.44 45.06 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 10.5 mmtp -108.36 128.38 25.75 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.261 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 37.2 Cg_exo -62.48 -72.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.773 2.315 . . . . 10.0 112.08 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 m -133.51 123.99 26.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 10.0 110.798 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -137.73 118.0 10.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 10.0 111.084 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.2 -39.25 31.6 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.604 2.202 . . . . 10.0 112.237 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.74 -40.81 54.83 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.98 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' HB2' ' CB ' ' A' ' 40' ' ' ASP . 3.9 mm? -71.68 -25.48 62.12 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 tp -73.63 -37.21 65.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.785 0.326 . . . . 10.0 110.247 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.14 -29.18 61.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.62 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -44.08 71.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.596 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -72.03 -33.6 68.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.811 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -64.25 -47.77 78.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.335 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.0 p -69.15 -39.39 78.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.309 -0.405 . . . . 10.0 112.014 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 30.3 mmtm -69.81 -34.11 73.24 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.192 0.442 . . . . 10.0 112.192 -179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.5 tp -75.1 -30.07 60.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.927 0.394 . . . . 10.0 110.216 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.1 m -74.57 -30.0 61.56 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.647 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -69.39 -36.57 76.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.0 -0.545 . . . . 10.0 109.666 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.38 -32.75 73.05 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.694 -0.684 . . . . 10.0 109.391 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -66.3 -39.53 89.4 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.281 -0.872 . . . . 10.0 110.105 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.89 -28.31 61.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.802 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.486 ' HE1' ' HB3' ' A' ' 16' ' ' PHE . 4.2 t80 -67.86 -49.44 62.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.86 0.362 . . . . 10.0 110.339 179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 58' ' ' ARG . 1.1 mmp_? -71.63 -35.81 70.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.41 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -71.65 -39.59 70.23 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.586 0.588 . . . . 10.0 112.586 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.85 -31.19 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.596 0.236 . . . . 10.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.466 HE21 ' HA ' ' A' ' 13' ' ' SER . 41.0 tt0 -75.17 -38.33 60.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.035 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.5 p -71.25 -28.27 64.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.832 0.349 . . . . 10.0 110.921 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -73.84 -36.59 64.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.512 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.5 p -69.64 -39.27 77.21 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.576 0.584 . . . . 10.0 112.576 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.7 t -71.22 -29.73 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 10.0 110.309 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -48.24 36.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.755 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.647 ' O ' HG13 ' A' ' 71' ' ' ILE . 45.0 t -70.12 -48.66 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 -179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 66.0 t80 -54.84 -42.77 72.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.424 0.527 . . . . 10.0 112.424 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 69' ' ' LYS . 24.6 mmtm -72.11 -34.49 68.65 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.55 -30.82 71.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.099 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.706 HG12 HD22 ' C' ' 55' ' ' ASN . 4.4 mt -72.15 -47.48 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -56.81 -39.15 73.63 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.038 -0.983 . . . . 10.0 111.721 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.05 65.66 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.972 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.0 67.01 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.504 -0.316 . . . . 10.0 111.55 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.605 HD12 ' O ' ' A' ' 71' ' ' ILE . 2.9 mt -66.83 -36.73 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 121.216 0.531 . . . . 10.0 109.945 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' B' ' 56' ' ' LEU . 11.0 mt -60.95 -43.68 96.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.322 -0.853 . . . . 10.0 110.297 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.7 -31.06 66.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.475 -0.784 . . . . 10.0 111.0 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -73.55 -13.17 60.98 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.187 0.518 . . . . 10.0 110.184 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.47 ' CZ ' HD23 ' D' ' 51' ' ' LEU . 4.8 t80 -81.22 105.03 12.1 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.433 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.546 ' O ' HG22 ' B' ' 67' ' ' VAL . 7.1 tpt180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.083 -0.96 . . . . 10.0 111.374 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.772 0.32 . . . . 10.0 111.075 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.24 137.97 33.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.054 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.8 m -106.85 113.53 62.62 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.4 149.96 63.61 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.711 2.274 . . . . 10.0 112.049 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -71.19 109.99 5.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.486 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -157.41 114.39 3.0 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.665 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.31 -177.68 24.22 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.749 -0.739 . . . . 10.0 111.878 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.424 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.3 OUTLIER -66.72 -34.21 77.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.675 0.274 . . . . 10.0 111.008 179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.523 ' H ' HD23 ' B' ' 9' ' ' LEU . 1.2 pt? -72.2 -27.68 62.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.173 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -72.48 -32.65 66.4 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.179 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -70.99 -35.7 72.19 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.193 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.571 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 57.0 t -73.13 -32.87 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.868 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.8 m -73.63 -28.15 61.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.025 0.441 . . . . 10.0 109.948 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.17 -39.81 53.99 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.642 -0.708 . . . . 10.0 112.129 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.807 ' HZ1' HD12 ' D' ' 34' ' ' LEU . 7.0 ptmt -66.06 -38.95 89.61 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.902 0.382 . . . . 10.0 111.753 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.508 ' HB3' ' CE1' ' B' ' 57' ' ' TYR . 13.9 m-85 -74.41 -27.0 60.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.207 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -60.78 -53.39 57.92 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -73.88 -21.72 59.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.264 -1.013 . . . . 10.0 108.264 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.68 -52.13 53.8 Favored Glycine 0 CA--C 1.498 -1.018 0 CA-C-N 114.131 -1.395 . . . . 10.0 115.045 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.921 HG12 HD21 ' B' ' 23' ' ' LEU . 17.7 m -117.85 28.84 2.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.165 0.507 . . . . 10.0 110.593 -178.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.573 ' HA ' HE21 ' B' ' 24' ' ' GLN . 28.9 t70 -63.06 -53.51 52.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.29 -0.868 . . . . 10.0 112.165 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -26.29 47.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.569 0.951 . . . . 10.0 113.569 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.921 HD21 HG12 ' B' ' 20' ' ' VAL 0.259 4.1 pp -71.03 -20.49 62.38 Favored 'General case' 0 C--O 1.225 -0.184 0 N-CA-C 112.724 0.639 . . . . 10.0 112.724 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.573 HE21 ' HA ' ' B' ' 21' ' ' ASP . 45.2 mt-30 -56.96 -49.24 76.29 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.035 0.445 . . . . 10.0 110.365 178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.7 t -72.06 -26.23 62.1 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.535 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -69.51 -27.36 65.12 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.745 178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 23' ' ' LEU . 95.4 t -70.14 -46.62 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.0 p -70.91 -25.74 62.9 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.616 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.35 -43.94 54.45 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.113 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.47 -28.11 63.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 10.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 61.1 tp -72.95 -36.26 67.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.643 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.26 -43.12 82.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.96 -0.564 . . . . 10.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -71.79 -23.96 61.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.982 -0.554 . . . . 10.0 111.922 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -77.16 -30.97 55.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.961 0.41 . . . . 10.0 110.022 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.81 -22.59 56.17 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.993 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.95 -21.08 25.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.079 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -101.39 138.98 20.06 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.872 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -64.29 -66.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.562 2.175 . . . . 10.0 110.977 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -143.34 123.87 14.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.937 -0.574 . . . . 10.0 109.883 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 0.4 OUTLIER -137.03 112.9 9.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.301 -179.665 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.97 -31.63 66.28 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.531 2.154 . . . . 10.0 111.98 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.66 -42.13 52.14 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.188 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.5 mm? -72.27 -24.48 61.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.785 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 tp -72.72 -38.88 67.33 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 120.712 0.291 . . . . 10.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.58 -28.76 62.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.265 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.91 -44.77 69.0 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.976 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -71.46 -33.38 69.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.525 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.53 -49.65 70.44 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.358 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 77.7 p -67.64 -38.99 84.63 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.06 0.393 . . . . 10.0 112.06 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -71.32 -38.0 71.72 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -70.34 -33.69 71.77 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.292 0.567 . . . . 10.0 109.803 179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' B' ' 55' ' ' ASN . 67.6 m -73.17 -28.07 62.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.431 -0.804 . . . . 10.0 110.387 178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' B' ' 49' ' ' SER . 36.1 mt-10 -70.15 -36.45 74.75 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.11 -0.496 . . . . 10.0 109.925 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -67.7 -28.76 67.94 Favored 'General case' 0 C--O 1.233 0.207 0 N-CA-C 108.649 -0.871 . . . . 10.0 108.649 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' B' ' 52' ' ' SER . 28.5 t-20 -71.86 -28.75 63.75 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 114.737 -1.119 . . . . 10.0 109.159 178.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 76' ' ' ILE . 2.9 tm? -70.92 -34.73 71.81 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.738 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' B' ' 16' ' ' PHE . 19.5 t80 -69.16 -51.43 38.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.82 -0.627 . . . . 10.0 112.188 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -72.24 -29.76 64.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.506 0.928 . . . . 10.0 113.506 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 36.2 m-20 -78.25 -45.92 21.65 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.48 73.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.595 0.236 . . . . 10.0 111.012 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -70.04 -41.27 74.43 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.205 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 90.1 p -69.18 -23.98 64.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.921 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.637 ' O ' HG23 ' B' ' 67' ' ' VAL . 1.8 m-20 -75.98 -45.37 35.1 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.195 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.7 m -65.4 -40.64 93.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 10.0 112.028 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 91.7 t -66.86 -32.34 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.076 0.465 . . . . 10.0 110.615 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -73.36 -41.03 63.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.916 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 63' ' ' ASN . 56.5 t -67.22 -53.15 35.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.03 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . 0.799 ' HA ' HD12 ' B' ' 71' ' ' ILE . 37.6 t80 -56.03 -38.89 71.17 Favored 'General case' 0 N--CA 1.462 0.143 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -70.54 -35.41 73.12 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.959 0.355 . . . . 10.0 111.959 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -71.28 -29.45 65.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.867 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' B' ' 68' ' ' PHE . 38.2 mt -68.57 -49.68 63.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 109.635 -0.505 . . . . 10.0 109.635 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' B' ' 75' ' ' ILE . 68.9 m-20 -65.44 -36.79 84.97 Favored 'General case' 0 CA--C 1.527 0.076 0 CA-C-N 115.789 -0.641 . . . . 10.0 111.544 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.97 73.41 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.279 -0.419 . . . . 10.0 111.64 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -38.22 73.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.157 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' B' ' 72' ' ' ASP . 13.7 mt -69.15 -37.61 76.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 91.0 mt -66.29 -36.98 78.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.021 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -76.62 -26.79 55.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.341 -0.391 . . . . 10.0 111.277 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -79.49 -15.11 58.33 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.814 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -99.22 119.49 37.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.265 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.202 -0.904 . . . . 10.0 111.112 179.331 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.734 0.302 . . . . 10.0 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.78 141.55 29.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 19.1 m -116.5 112.9 40.95 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.162 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.72 164.7 34.85 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.98 2.453 . . . . 10.0 111.632 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 56.4 t90 -74.5 109.77 8.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.893 0.378 . . . . 10.0 109.997 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m -152.55 134.96 15.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.75 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.78 -178.63 15.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.852 -0.69 . . . . 10.0 111.974 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.13 -31.5 72.4 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.648 0.261 . . . . 10.0 111.608 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.582 ' H ' HD23 ' C' ' 9' ' ' LEU . 1.5 pt? -72.46 -30.42 64.54 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.115 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -72.3 -32.47 66.6 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.08 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -70.39 -36.53 74.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.729 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.403 ' HA ' ' HG2' ' C' ' 15' ' ' LYS . 60.9 t -73.46 -31.84 34.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.714 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . 0.472 ' HA ' HE21 ' C' ' 61' ' ' GLN . 70.2 m -74.0 -27.45 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.578 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.47 59.01 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.926 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.403 ' HG2' ' HA ' ' C' ' 12' ' ' VAL . 7.1 ptmt -68.19 -33.01 73.65 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.648 -0.251 . . . . 10.0 111.464 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.642 ' HB3' ' HE1' ' C' ' 57' ' ' TYR . 8.8 m-85 -77.82 -32.41 52.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.126 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.57 -50.74 64.04 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.539 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -75.93 -24.17 55.5 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.82 -43.96 95.4 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.536 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.457 HG22 ' O ' ' C' ' 16' ' ' PHE . 27.6 m -112.13 29.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.693 0.282 . . . . 10.0 111.336 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.02 -56.02 25.94 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.325 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.43 -8.84 59.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.086 0.47 . . . . 10.0 110.88 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.456 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.0 tm? -70.51 -33.12 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.004 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' C' ' 20' ' ' VAL . 71.3 mt-30 -59.3 -44.93 92.49 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.652 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 14.9 t -71.08 -26.51 63.09 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.53 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -70.52 -28.66 65.11 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.797 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.456 HG23 ' O ' ' C' ' 23' ' ' LEU . 65.7 t -69.94 -45.76 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.081 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 35.2 p -72.22 -24.71 61.43 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.903 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.59 -46.48 54.05 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.534 -0.303 . . . . 10.0 110.988 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.37 -24.2 61.23 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.094 0.474 . . . . 10.0 110.206 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' C' ' 27' ' ' VAL . 13.4 tp -67.56 -43.91 79.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.83 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.22 -33.97 70.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.735 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -40.78 83.03 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.072 0.397 . . . . 10.0 112.072 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 35.0 tp -75.94 -24.72 55.5 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 111.784 0.29 . . . . 10.0 111.784 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . 0.69 ' HA ' ' HE2' ' A' ' 15' ' ' LYS . . . -49.85 -45.97 50.89 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . 0.273 . . -111.24 24.66 12.59 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 114.81 1.411 . . . . 10.0 114.81 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.491 ' HB3' ' OD1' ' C' ' 40' ' ' ASP . 1.0 OUTLIER -117.94 109.07 41.6 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 176.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -43.67 -68.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.875 3.05 . . . . 10.0 113.778 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 66.0 m -147.03 124.03 11.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 10.0 110.858 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.576 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 5.2 m-20 -137.11 118.89 11.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.668 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.68 -36.31 53.1 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.519 2.146 . . . . 10.0 111.867 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.63 -39.25 58.11 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.784 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.576 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.1 mm? -72.37 -28.53 63.07 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.831 0.308 . . . . 10.0 111.831 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 28.9 tp -72.3 -38.98 68.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.464 -0.335 . . . . 10.0 110.653 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.1 -29.22 61.74 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.761 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.27 -44.04 66.01 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.956 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -71.33 -34.01 70.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.946 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -63.23 -45.71 90.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 10.0 111.07 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 59.1 p -70.83 -39.0 73.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 10.0 112.062 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -69.97 -34.91 73.99 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 112.177 0.436 . . . . 10.0 112.177 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 tp -75.4 -31.55 60.47 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.765 0.317 . . . . 10.0 110.773 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 66.6 m -74.75 -29.92 61.31 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.429 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.91 -36.38 83.22 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.73 -0.841 . . . . 10.0 108.73 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -68.83 -34.26 75.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.161 -0.927 . . . . 10.0 109.231 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . 0.706 HD22 HG12 ' A' ' 71' ' ' ILE . 28.5 t-20 -64.65 -46.16 83.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.147 -0.933 . . . . 10.0 111.311 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' C' ' 56' ' ' LEU . 1.8 mm? -74.43 -28.49 61.08 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . 0.642 ' HE1' ' HB3' ' C' ' 16' ' ' PHE . 0.2 OUTLIER -64.97 -47.97 75.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 10.0 110.982 179.383 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.514 ' NH2' ' HB3' ' C' ' 61' ' ' GLN . 1.3 mmp_? -78.93 -33.45 45.38 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -67.35 -32.95 74.24 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.845 -0.342 . . . . 10.0 111.149 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.87 -31.09 56.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.597 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.514 ' HB3' ' NH2' ' C' ' 58' ' ' ARG . 45.8 tt0 -74.67 -37.55 62.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 52.1 p -71.15 -30.79 66.9 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.831 0.348 . . . . 10.0 110.144 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -75.23 -39.12 60.26 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.782 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 11.7 p -67.77 -37.97 82.8 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.666 0.247 . . . . 10.0 111.666 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 82.5 t -69.88 -33.77 57.25 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.103 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -74.39 -43.17 57.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . 0.494 ' O ' HG13 ' C' ' 71' ' ' ILE . 78.8 t -70.36 -48.36 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 112.515 0.561 . . . . 10.0 112.515 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -60.96 -43.39 98.81 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.378 0.511 . . . . 10.0 112.378 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.616 ' HE3' ' HA ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -66.75 -34.48 77.93 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.681 -0.236 . . . . 10.0 111.296 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -31.04 71.37 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.462 -0.336 . . . . 10.0 111.064 178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . 0.494 HG13 ' O ' ' C' ' 67' ' ' VAL . 74.7 mt -69.29 -42.81 81.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.644 -0.502 . . . . 10.0 109.644 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . 0.527 ' O ' ' HB ' ' C' ' 76' ' ' ILE . 65.4 m-20 -67.54 -31.96 72.42 Favored 'General case' 0 C--N 1.335 -0.049 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.854 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.07 -26.81 56.85 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.793 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.68 -46.09 48.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 10.0 110.837 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 51.7 mt -71.41 -30.98 41.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.623 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' C' ' 72' ' ' ASP . 1.7 tp -69.12 -34.14 62.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -83.64 -19.53 35.24 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.769 0.319 . . . . 10.0 111.266 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -79.3 -19.81 49.53 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -82.82 107.72 15.64 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.529 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.188 -0.911 . . . . 10.0 111.082 -179.865 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.745 0.307 . . . . 10.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.43 138.14 33.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 22.4 m -106.18 114.08 62.79 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.744 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.47 151.16 64.87 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.64 2.227 . . . . 10.0 112.008 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -72.19 110.21 6.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.295 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 61.3 m -156.35 121.83 4.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.953 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.74 178.74 19.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.906 -0.664 . . . . 10.0 111.757 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -34.54 78.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.631 0.253 . . . . 10.0 111.324 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.578 ' H ' HD23 ' D' ' 9' ' ' LEU . 1.9 pt? -72.15 -28.48 63.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.067 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -72.52 -32.0 65.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.973 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -70.52 -36.48 73.77 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.609 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' D' ' 15' ' ' LYS . 61.7 t -71.75 -35.03 53.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.58 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 70.6 m -73.43 -26.54 61.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.272 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.79 -42.74 57.57 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.64 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' D' ' 12' ' ' VAL . 0.9 OUTLIER -70.03 -28.65 65.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.484 -0.326 . . . . 10.0 111.578 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.62 ' HB3' ' HE1' ' D' ' 57' ' ' TYR . 2.5 m-85 -77.96 -37.46 47.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.007 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.16 -50.2 66.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.429 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -75.22 -23.96 57.66 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.82 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.07 -43.13 96.15 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 115.916 -0.584 . . . . 10.0 112.84 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' D' ' 23' ' ' LEU . 31.1 m -115.02 32.24 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.887 0.375 . . . . 10.0 111.152 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.4 -51.81 68.31 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.541 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' D' ' 26' ' ' GLN . 0.9 OUTLIER -82.37 -10.88 58.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.169 179.692 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.511 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 0.9 OUTLIER -71.15 -25.86 62.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.762 179.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -65.51 -45.67 82.62 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.43 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -72.47 -25.93 61.61 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.548 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' D' ' 22' ' ' ASN . 91.8 mm-40 -70.88 -30.42 66.78 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.451 -0.341 . . . . 10.0 111.434 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.452 HG23 ' O ' ' D' ' 23' ' ' LEU . 95.0 t -72.16 -43.36 66.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.359 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -69.26 -28.08 66.0 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.5 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -77.31 -32.31 55.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.363 -0.381 . . . . 10.0 111.091 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.86 78.09 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.452 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -72.92 -34.48 66.63 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.78 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.08 -46.68 88.77 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.496 0.498 . . . . 10.0 111.374 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' D' ' 33' ' ' LYS . 10.1 mptt -71.24 -25.77 62.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.216 -0.447 . . . . 10.0 111.382 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.807 HD12 ' HZ1' ' B' ' 15' ' ' LYS . 0.2 OUTLIER -76.34 -23.48 54.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.132 -0.485 . . . . 10.0 111.322 179.494 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.41 -55.27 35.71 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.792 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 3' ' ' THR 0.477 . . -98.06 26.35 5.34 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 115.536 1.68 . . . . 10.0 115.536 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -136.6 100.75 10.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 105.928 -1.879 . . . . 10.0 105.928 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -69.0 -74.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.77 2.314 . . . . 10.0 115.233 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 13.6 m -93.26 124.07 36.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 109.856 -0.424 . . . . 10.0 109.856 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.874 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 6.5 m-20 -139.41 119.69 9.41 Favored Pre-proline 0 N--CA 1.446 -0.639 0 N-CA-C 114.194 1.183 . . . . 10.0 114.194 -177.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.497 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 53.0 Cg_endo -73.42 -50.57 0.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.488 2.125 . . . . 10.0 110.709 176.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.79 -52.57 6.99 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.396 -1.274 . . . . 10.0 112.423 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' D' ' 43' ' ' LEU . 2.4 mm? -63.55 -23.0 67.2 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.31 1.226 . . . . 10.0 114.31 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.874 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -73.79 -37.55 64.91 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.07 0.462 . . . . 10.0 109.868 179.081 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.86 65.83 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.09 -0.959 . . . . 10.0 111.237 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.94 83.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.686 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -72.47 -33.14 66.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.832 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -62.05 -52.42 64.0 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 45.3 p -68.95 -38.95 79.74 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 34.7 mmtm -69.19 -31.67 70.44 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 -179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 79' ' ' PHE . 17.0 tp -74.83 -31.82 61.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.841 0.353 . . . . 10.0 110.33 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 50.9 m -74.7 -29.12 61.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.47 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.26 -36.54 81.81 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.067 -0.716 . . . . 10.0 109.067 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -67.25 -31.51 71.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.188 -0.914 . . . . 10.0 109.749 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . 0.617 HD22 HG12 ' B' ' 71' ' ' ILE . 28.5 t-20 -62.28 -50.46 71.59 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.304 -0.862 . . . . 10.0 112.232 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' D' ' 56' ' ' LEU . 1.3 mm? -73.91 -27.16 60.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.632 0.975 . . . . 10.0 113.632 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . 0.62 ' HE1' ' HB3' ' D' ' 16' ' ' PHE . 8.3 t80 -60.13 -44.9 94.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 10.0 110.506 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -81.35 -31.5 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.886 -0.597 . . . . 10.0 112.483 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -72.12 -42.72 65.74 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.656 0.265 . . . . 10.0 111.574 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.64 -29.93 65.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.154 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . 0.492 ' O ' HG23 ' D' ' 65' ' ' VAL . 46.0 tt0 -73.74 -40.19 63.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.238 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 90.3 p -71.77 -26.88 62.62 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.267 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.414 ' O ' HG23 ' D' ' 67' ' ' VAL . 62.0 m-20 -73.91 -38.42 64.35 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.626 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 9.8 p -67.47 -37.47 82.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.537 -0.301 . . . . 10.0 111.788 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . 0.492 HG23 ' O ' ' D' ' 61' ' ' GLN . 31.7 t -71.99 -34.05 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 120.89 0.376 . . . . 10.0 110.406 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.9 -40.91 71.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.862 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.447 ' O ' HG13 ' D' ' 71' ' ' ILE . 77.2 t -74.12 -49.83 31.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 111.958 0.355 . . . . 10.0 111.958 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -56.69 -44.25 81.28 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 112.378 0.51 . . . . 10.0 112.378 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' D' ' 69' ' ' LYS . 30.1 mmtm -67.85 -34.89 77.58 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.77 -28.93 68.03 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.67 0.272 . . . . 10.0 111.142 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . 0.447 HG13 ' O ' ' D' ' 67' ' ' VAL . 83.9 mt -72.43 -44.77 61.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.193 -0.458 . . . . 10.0 109.931 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -64.84 -37.68 88.43 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.887 -0.597 . . . . 10.0 111.021 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.55 70.89 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.912 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.51 -37.73 71.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.157 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.71 -35.79 62.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.008 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.83 -36.84 77.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.929 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -72.65 -30.22 64.1 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.288 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -79.24 -15.97 57.2 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.299 -0.409 . . . . 10.0 111.002 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -93.78 117.53 30.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.083 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.278 -0.868 . . . . 10.0 111.251 179.379 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 tpp . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.821 0.344 . . . . 10.0 111.011 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.46 142.25 31.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.432 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m -100.45 118.0 61.89 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.32 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -75.19 148.67 34.86 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.486 2.124 . . . . 10.0 110.986 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.609 ' HZ3' ' HB3' ' D' ' 38' ' ' PRO . 79.8 m95 -70.7 110.74 5.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.499 -0.318 . . . . 10.0 111.321 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -144.56 116.95 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 10.0 111.326 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.83 -177.15 38.97 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.681 -0.69 . . . . 10.0 111.758 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.444 ' O ' HG23 ' A' ' 12' ' ' VAL . 48.3 m-85 -67.11 -43.53 82.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.897 0.348 . . . . 10.0 111.283 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 tp -75.49 -38.4 59.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.137 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.17 -36.82 85.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.575 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -70.45 -36.05 73.7 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.973 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 8' ' ' TYR . 55.2 t -67.96 -38.97 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.714 0.292 . . . . 10.0 111.014 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 m -65.62 -47.4 75.76 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.738 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -21.92 60.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.995 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -63.53 -54.56 34.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.922 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 20' ' ' VAL . 68.6 m-85 -75.98 -30.6 58.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.67 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -51.01 63.38 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -79.15 -23.46 43.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.963 0.411 . . . . 10.0 110.22 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.05 -47.66 71.74 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-N 115.694 -0.684 . . . . 10.0 112.831 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 27.7 m -116.9 32.66 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.218 0.451 . . . . 10.0 112.218 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.18 -47.83 82.74 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.499 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.405 ' O ' HG22 ' A' ' 25' ' ' THR . 8.2 t-20 -80.48 -12.57 59.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.249 0.547 . . . . 10.0 111.049 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.1 tm? -66.3 -30.92 71.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.631 -0.713 . . . . 10.0 111.231 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.55 -45.74 90.92 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 22' ' ' ASN . 14.7 t -70.84 -25.94 63.06 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.519 -0.309 . . . . 10.0 111.332 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -68.87 -32.16 71.63 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.961 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 23' ' ' LEU . 47.0 t -69.24 -44.77 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 120.906 0.384 . . . . 10.0 110.325 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.0 p -71.49 -24.48 61.99 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.874 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -74.85 -42.34 58.14 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.029 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.82 -30.29 66.69 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.721 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.2 tp -73.02 -35.99 66.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.822 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.5 -44.67 95.8 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.138 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 8.8 mptt -71.34 -29.8 65.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.604 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -32.82 74.71 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.455 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.61 -25.17 66.48 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.36 4.74 22.88 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.793 0.664 . . . . 10.0 112.793 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 40.4 mmtm -110.22 125.56 30.77 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 112.034 0.383 . . . . 10.0 112.034 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 12.5 Cg_exo -71.47 -65.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.952 2.434 . . . . 10.0 110.866 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -118.64 124.1 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.798 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -137.38 95.86 11.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 28.0 Cg_endo -64.23 -43.02 15.81 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.478 2.119 . . . . 10.0 112.377 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.81 -41.28 53.21 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.425 0.528 . . . . 10.0 112.425 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.798 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.7 mm? -71.21 -24.45 62.21 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.744 0.646 . . . . 10.0 112.744 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.0 tp -70.99 -41.66 70.66 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.871 0.367 . . . . 10.0 110.653 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -31.42 62.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.768 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.59 -40.62 69.76 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.979 -0.555 . . . . 10.0 111.034 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -71.12 -34.18 70.82 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.705 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -66.29 -39.49 89.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.336 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.598 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 39.7 t -73.41 -42.75 61.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.729 -0.669 . . . . 10.0 111.37 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 66.4 mmtt -69.32 -32.64 71.88 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.586 0.588 . . . . 10.0 112.586 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.1 -33.34 61.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.783 0.325 . . . . 10.0 110.942 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.5 p -74.06 -29.4 61.86 Favored 'General case' 0 C--N 1.334 -0.07 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.367 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 49' ' ' SER . 51.0 mt-10 -66.48 -37.01 84.16 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 109.532 -0.544 . . . . 10.0 109.532 178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -68.26 -36.7 79.82 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.928 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -64.66 -43.83 92.35 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.284 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.9 mm? -67.7 -35.68 79.26 Favored 'General case' 0 C--O 1.226 -0.147 0 CA-C-N 116.057 -0.52 . . . . 10.0 111.221 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -64.23 -48.3 76.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 10.0 111.792 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.719 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -75.46 -35.59 60.85 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 4.8 m-20 -71.82 -39.73 69.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.22 -32.02 66.37 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.562 0.22 . . . . 10.0 111.157 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.638 ' O ' HG23 ' A' ' 65' ' ' VAL . 4.8 tt0 -74.39 -47.25 35.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.067 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -64.32 -28.1 69.48 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.844 0.354 . . . . 10.0 110.804 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.6 t-20 -72.58 -42.6 64.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.81 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.3 p -69.44 -37.26 77.28 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.304 0.483 . . . . 10.0 112.304 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.6 t -63.98 -44.21 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.659 0.266 . . . . 10.0 111.391 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.85 -48.06 40.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -178.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.65 ' O ' HG13 ' A' ' 71' ' ' ILE . 21.9 t -64.97 -51.24 69.19 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.846 ' HE1' ' HB3' ' D' ' 39' ' ' SER . 54.9 t80 -56.47 -37.75 70.75 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.597 0.561 . . . . 10.0 112.053 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.475 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 12.5 mmmt -73.13 -35.27 66.49 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.028 0.381 . . . . 10.0 112.028 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -61.42 -33.79 74.29 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.851 0.357 . . . . 10.0 110.272 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.666 ' O ' HD12 ' A' ' 75' ' ' ILE . 3.0 mt -68.83 -51.54 44.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.842 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.409 ' OD1' HD13 ' D' ' 44' ' ' LEU . 0.8 OUTLIER -53.86 -42.21 68.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.014 -0.994 . . . . 10.0 111.86 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -73.81 -26.93 60.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.994 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.98 -47.58 65.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.69 -0.232 . . . . 10.0 111.072 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 71' ' ' ILE . 3.1 mt -63.6 -38.19 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.016 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 79' ' ' PHE . 19.5 mt -56.51 -43.41 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.17 -0.923 . . . . 10.0 110.714 179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -83.59 -13.53 54.14 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.157 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.511 ' O ' ' HG3' ' C' ' 66' ' ' LYS . 68.8 m-20 -85.97 -2.25 58.11 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.71 -0.848 . . . . 10.0 108.71 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 76' ' ' ILE . 1.4 m-85 -54.03 -84.52 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.211 -0.904 . . . . 10.0 109.264 177.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.908 ' HA ' ' HE3' ' C' ' 66' ' ' LYS . 59.3 mtm180 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.313 -0.851 . . . . 10.0 111.038 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.0 tpp . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.738 0.304 . . . . 10.0 110.91 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.58 144.69 32.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -103.85 112.68 65.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.71 143.03 45.15 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.626 2.217 . . . . 10.0 111.76 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -69.57 111.04 5.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.971 0.415 . . . . 10.0 111.081 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 10.3 p -149.35 107.9 3.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.82 -171.6 27.0 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 111.17 -0.772 . . . . 10.0 111.17 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.465 ' O ' HG23 ' B' ' 12' ' ' VAL . 65.8 m-85 -66.68 -45.69 78.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.005 0.403 . . . . 10.0 111.483 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 tp -75.31 -39.12 59.87 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.525 -0.307 . . . . 10.0 111.534 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -64.99 -39.94 94.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.711 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.66 ' HB3' HD11 ' D' ' 31' ' ' LEU . 0.5 OUTLIER -69.08 -35.25 76.28 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.699 179.57 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.781 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 53.8 t -66.35 -34.09 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.325 0.583 . . . . 10.0 111.003 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m -71.53 -45.27 62.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.372 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.72 -25.36 56.54 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.747 0.647 . . . . 10.0 112.747 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.837 ' HE3' ' HG ' ' D' ' 34' ' ' LEU . 0.5 OUTLIER -65.48 -49.01 70.64 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.811 0.3 . . . . 10.0 111.811 -179.181 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.688 ' N ' ' HG3' ' B' ' 15' ' ' LYS . 33.8 m-85 -76.64 -31.7 57.52 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.692 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 0.5 OUTLIER -66.09 -52.78 45.56 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 114.499 1.296 . . . . 10.0 114.499 -178.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -77.38 -23.81 50.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 10.0 111.872 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.6 -48.12 13.95 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 115.186 0.834 . . . . 10.0 115.186 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.636 HG22 ' O ' ' B' ' 16' ' ' PHE . 34.3 m -109.26 31.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.385 0.612 . . . . 10.0 112.119 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' B' ' 17' ' ' ASP . 13.3 t70 -71.18 -20.54 62.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.372 -0.831 . . . . 10.0 110.633 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.531 ' HB3' ' HE1' ' A' ' 5' ' ' TRP . 6.3 t-20 -93.11 -23.84 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.417 0.895 . . . . 10.0 113.417 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.621 ' HG ' ' HB ' ' B' ' 20' ' ' VAL 0.284 0.8 OUTLIER -68.52 -21.29 64.58 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.607 0.966 . . . . 10.0 113.607 -179.833 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.417 ' N ' HD12 ' B' ' 23' ' ' LEU . 81.8 mm-40 -57.9 -47.33 83.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.006 0.431 . . . . 10.0 110.211 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -73.79 -25.87 60.35 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.78 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -69.85 -31.76 69.78 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.145 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 23' ' ' LEU . 98.7 t -70.88 -45.07 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.898 0.38 . . . . 10.0 110.015 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 39.3 p -69.56 -24.74 63.75 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 115.848 -0.614 . . . . 10.0 111.457 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.99 -41.18 52.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.637 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.36 -30.48 64.75 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.695 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -73.17 -35.96 66.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.624 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.05 -44.82 91.31 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.699 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -71.95 -24.2 61.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.656 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -67.99 -34.59 76.81 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.994 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.61 -12.03 60.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.889 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.56 6.37 23.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.997 0.369 . . . . 10.0 111.997 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 43.9 mmtm -122.4 126.82 26.08 Favored Pre-proline 0 C--N 1.331 -0.198 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 16.9 Cg_exo -69.45 -58.36 0.1 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.89 2.393 . . . . 10.0 110.551 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 5.3 p -130.81 124.68 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.48 -0.782 . . . . 10.0 108.922 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.595 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.6 OUTLIER -136.6 95.88 12.41 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 112.606 0.595 . . . . 10.0 112.606 -178.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 27.7 Cg_endo -64.51 -34.53 52.77 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.452 2.101 . . . . 10.0 111.492 178.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.71 ' HA ' ' NH1' ' A' ' 58' ' ' ARG . . . -76.04 -46.58 28.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.852 -0.613 . . . . 10.0 112.227 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 3.9 mm? -71.34 -21.13 62.08 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.761 0.652 . . . . 10.0 112.761 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 33.7 tp -69.57 -43.66 72.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.872 0.368 . . . . 10.0 110.623 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.07 -30.48 62.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.801 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.94 -41.45 64.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.365 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -71.3 -33.71 69.94 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 116.476 -0.329 . . . . 10.0 110.833 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -66.09 -39.3 89.89 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.679 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 35.7 t -74.9 -38.69 61.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.543 . . . . 10.0 111.338 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' B' ' 50' ' ' LYS . 66.2 mmtt -74.35 -32.36 62.76 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.8 tp -74.09 -34.79 64.11 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 84.0 p -74.07 -28.1 61.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.255 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.744 ' HA ' HD23 ' B' ' 56' ' ' LEU . 19.6 mt-10 -67.04 -37.1 83.51 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.306 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -69.56 -30.05 67.75 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 66.8 t30 -69.02 -42.79 75.91 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.355 -0.839 . . . . 10.0 110.791 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' B' ' 53' ' ' GLU . 0.7 OUTLIER -68.64 -29.61 68.13 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.802 0.334 . . . . 10.0 111.234 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -68.99 -47.02 66.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.555 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.624 ' HA ' ' HE ' ' B' ' 58' ' ' ARG . 0.6 OUTLIER -78.49 -33.35 48.26 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.473 0.545 . . . . 10.0 112.473 -179.419 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 3.2 m120 -71.23 -50.68 30.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.049 0.759 . . . . 10.0 113.049 -179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.0 77.18 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.203 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.459 ' O ' HG23 ' B' ' 65' ' ' VAL . 41.2 tt0 -70.35 -45.06 66.87 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 121.175 -0.21 . . . . 10.0 111.478 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 80.7 p -65.78 -24.65 66.98 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.785 0.326 . . . . 10.0 110.805 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.499 ' O ' HG12 ' B' ' 67' ' ' VAL . 0.4 OUTLIER -74.85 -44.56 48.45 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.161 179.155 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 34.5 p -70.25 -37.24 74.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 10.0 112.071 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 61' ' ' GLN . 49.3 t -61.0 -42.34 92.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.273 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 mtpp -73.64 -45.73 50.96 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 113.36 0.874 . . . . 10.0 113.36 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.559 ' HB ' ' CZ ' ' A' ' 80' ' ' ARG . 5.6 p -61.17 -48.37 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 113.435 0.902 . . . . 10.0 113.435 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -64.92 -35.43 81.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.649 0.262 . . . . 10.0 111.516 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.573 ' HA ' ' HE3' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -73.63 -36.46 65.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.313 0.486 . . . . 10.0 112.313 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -70.95 -38.91 72.85 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.625 0.25 . . . . 10.0 111.625 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.413 ' O ' HG13 ' B' ' 75' ' ' ILE . 15.8 pt -75.06 -29.19 21.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.402 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -72.07 -40.89 67.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.062 0.458 . . . . 10.0 109.807 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 -21.91 60.46 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.741 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.39 -38.6 74.72 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.416 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 71' ' ' ILE . 14.0 mt -65.54 -42.58 93.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.088 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 68.2 mt -58.65 -37.53 65.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.678 -0.692 . . . . 10.0 111.26 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.51 -19.6 35.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.612 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -89.33 -0.18 57.28 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.394 -0.366 . . . . 10.0 111.278 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -54.15 -85.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.447 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' B' ' 80' ' ' ARG . 6.4 ptt180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.105 -0.95 . . . . 10.0 111.323 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.2 tpt . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.763 0.316 . . . . 10.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.13 142.2 32.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.211 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 20.5 m -108.78 112.57 60.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.729 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.25 156.6 46.36 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.736 2.29 . . . . 10.0 112.352 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -69.91 111.18 5.45 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.999 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 17.1 p -148.4 124.46 10.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.01 0.433 . . . . 10.0 111.302 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.07 -169.98 40.37 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.8 -0.637 . . . . 10.0 111.728 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -66.75 -47.22 72.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.751 0.31 . . . . 10.0 111.513 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 37.4 tp -74.74 -36.07 62.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.504 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -67.45 -35.82 79.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.974 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' C' ' 15' ' ' LYS . 0.5 OUTLIER -71.44 -36.32 71.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.374 . . . . 10.0 111.578 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.47 -40.13 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.713 0.292 . . . . 10.0 110.987 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 48.6 m -65.57 -45.22 84.1 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.108 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.96 -22.89 59.47 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.557 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' C' ' 11' ' ' ASP . 5.2 tptp -67.19 -46.51 73.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.489 ' O ' HG22 ' C' ' 20' ' ' VAL . 57.2 m-85 -77.87 -32.95 52.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.673 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -50.59 65.79 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.175 0.435 . . . . 10.0 112.175 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -79.28 -23.98 43.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 10.0 111.292 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.55 -49.15 58.03 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.999 -0.62 . . . . 10.0 113.046 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.524 ' HB ' ' HB3' ' C' ' 23' ' ' LEU . 27.0 m -110.11 31.63 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 111.982 0.364 . . . . 10.0 111.982 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.87 -48.81 78.83 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -85.61 -11.4 54.03 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.042 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.524 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.0 tm? -65.67 -33.48 75.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.351 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -58.38 -47.18 84.7 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.236 -0.438 . . . . 10.0 112.116 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -69.12 -25.77 64.56 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.427 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -69.37 -30.69 68.74 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.568 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 67.3 t -68.79 -46.23 79.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.414 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 25.3 p -71.23 -24.72 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.827 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -72.52 -47.05 51.5 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.285 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.48 -29.17 67.72 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.957 0.408 . . . . 10.0 110.808 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 40.3 tp -72.98 -34.99 66.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.257 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.76 -37.73 87.76 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 115.775 -0.648 . . . . 10.0 111.249 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' C' ' 33' ' ' LYS . 0.6 OUTLIER -71.87 -32.82 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 10.0 110.949 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.444 HD12 ' HE1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -68.17 -21.22 64.91 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.395 179.239 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.14 -55.46 3.89 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 113.739 1.014 . . . . 10.0 113.739 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.57 25.3 5.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' C' ' 37' ' ' LYS . 0.0 OUTLIER -87.55 123.36 69.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 10.0 110.785 179.416 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.503 ' CB ' ' HG2' ' A' ' 53' ' ' GLU . 19.0 Cg_endo -59.41 -73.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.163 2.575 . . . . 10.0 113.21 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -131.63 125.61 32.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.003 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.768 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.3 OUTLIER -135.63 92.58 16.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.485 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 22.6 Cg_endo -63.21 -37.7 49.51 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.585 2.19 . . . . 10.0 112.128 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.54 -41.62 54.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.908 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.768 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.7 mm? -72.24 -22.28 61.27 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 112.504 0.557 . . . . 10.0 112.504 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.26 -42.6 71.95 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.863 0.363 . . . . 10.0 110.567 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.82 -31.03 63.03 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.706 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.07 -42.18 66.51 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.139 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -69.6 -34.33 73.96 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.84 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -67.3 -39.42 85.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.871 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 37.1 t -73.71 -42.13 61.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.613 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 71.3 mmtt -69.6 -31.89 70.29 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.331 0.493 . . . . 10.0 112.331 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tp -75.3 -33.69 61.21 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.645 0.259 . . . . 10.0 111.05 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -74.68 -30.82 61.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.382 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -64.05 -36.35 83.71 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -70.62 -35.89 73.19 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.046 -0.979 . . . . 10.0 109.898 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -61.45 -50.73 71.61 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.934 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' C' ' 56' ' ' LEU . 2.4 mm? -70.11 -27.01 64.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.034 -0.53 . . . . 10.0 112.381 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . 0.497 ' CD2' ' HG2' ' C' ' 58' ' ' ARG . 1.1 t80 -63.21 -54.97 29.17 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 111.843 0.312 . . . . 10.0 111.843 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.683 HH21 ' HG2' ' C' ' 61' ' ' GLN . 0.6 OUTLIER -75.94 -33.16 59.82 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -178.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -67.42 -40.25 85.53 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.554 0.216 . . . . 10.0 111.533 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.3 -32.28 62.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.407 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.683 ' HG2' HH21 ' C' ' 58' ' ' ARG . 5.9 tp60 -66.07 -52.44 48.9 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.118 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 58.9 p -64.15 -32.98 74.75 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.643 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -66.73 -50.03 64.08 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.973 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 28.9 p -64.12 -37.11 86.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.411 -0.359 . . . . 10.0 111.556 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.595 HG23 ' O ' ' C' ' 61' ' ' GLN . 54.1 t -60.2 -52.03 66.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.41 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . 0.908 ' HE3' ' HA ' ' A' ' 80' ' ' ARG . 4.3 tmtt? -72.44 -34.56 67.88 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 -178.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.67 -48.58 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -64.68 -34.29 77.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.67 0.272 . . . . 10.0 111.463 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 28.1 mmmt -72.3 -34.12 67.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.812 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -63.83 -33.17 75.09 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.763 0.316 . . . . 10.0 110.374 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 60.8 mt -71.56 -41.89 72.13 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 CA-C-N 115.921 -0.581 . . . . 10.0 109.684 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.9 -36.21 82.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.562 -0.745 . . . . 10.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.48 -22.41 47.54 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.206 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.47 -40.26 61.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.625 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.97 -42.59 82.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.989 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 5.7 tp -62.13 -31.55 51.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.505 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -84.69 -20.21 31.57 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.752 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -82.46 -6.51 59.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.087 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -53.61 -85.63 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.881 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . 0.867 ' NH2' ' HB ' ' D' ' 67' ' ' VAL . 36.3 mtm180 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.095 -0.955 . . . . 10.0 111.389 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 56.9 tpp . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.661 0.267 . . . . 10.0 110.93 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.71 144.43 32.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.962 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 25.1 m -103.3 112.75 65.9 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.87 145.35 50.52 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.593 2.195 . . . . 10.0 111.822 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -71.2 111.23 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.98 0.419 . . . . 10.0 111.271 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 8.9 p -147.58 110.96 4.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.963 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.97 -171.68 27.27 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.017 -0.611 . . . . 10.0 111.716 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -66.97 -50.35 62.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.981 0.363 . . . . 10.0 111.981 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -35.36 62.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.771 0.319 . . . . 10.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -64.73 -39.37 93.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.029 -0.532 . . . . 10.0 111.855 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.58 -36.44 63.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.976 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.76 -44.57 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.572 0.225 . . . . 10.0 111.385 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 17.1 p -67.9 -36.16 79.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.431 -0.35 . . . . 10.0 111.442 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.08 -25.94 58.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.385 -0.371 . . . . 10.0 111.737 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -41.33 70.94 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.612 -0.267 . . . . 10.0 111.439 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.438 ' O ' HG22 ' D' ' 20' ' ' VAL . 47.1 m-85 -78.43 -44.24 25.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.73 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.7 -50.82 65.46 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.9 m -79.51 -28.85 41.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.689 0.281 . . . . 10.0 111.631 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.03 -53.46 33.62 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.947 -0.644 . . . . 10.0 113.567 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.466 ' HB ' ' HB2' ' D' ' 23' ' ' LEU . 32.1 m -106.89 32.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.178 0.513 . . . . 10.0 111.612 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.6 -39.12 86.97 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.535 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -80.63 -8.92 59.78 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.904 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.491 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.5 OUTLIER -71.14 -26.14 62.87 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.726 -0.215 . . . . 10.0 111.414 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -61.22 -46.3 91.0 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 14.2 t -73.3 -25.78 60.8 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.623 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -68.96 -35.39 76.69 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.354 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 23' ' ' LEU . 51.4 t -71.26 -40.1 73.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.84 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 17.9 p -69.49 -28.42 66.05 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.791 0.329 . . . . 10.0 111.319 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -77.32 -33.93 55.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.449 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.27 -42.5 72.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.524 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -72.99 -34.89 66.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.918 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -62.47 -45.46 92.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.384 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' D' ' 37' ' ' LYS . 0.0 OUTLIER -69.06 -47.2 65.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.946 179.542 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.837 ' HG ' ' HE3' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -61.94 -23.19 66.21 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.19 0.811 . . . . 10.0 113.19 -179.191 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . 0.809 ' HA ' ' HE2' ' B' ' 15' ' ' LYS . . . -50.24 -54.03 24.02 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.109 0.411 . . . . 10.0 112.109 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.48 24.26 5.32 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 113.93 1.085 . . . . 10.0 113.93 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' D' ' 33' ' ' LYS . 12.9 mmtp -121.68 103.2 40.93 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.668 -0.864 . . . . 10.0 108.668 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.609 ' HB3' ' HZ3' ' A' ' 5' ' ' TRP . 14.4 Cg_endo -58.47 -73.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.952 2.435 . . . . 10.0 113.402 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . 0.846 ' HB3' ' HE1' ' A' ' 68' ' ' PHE . 16.2 m -96.38 124.05 40.24 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.822 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.4 OUTLIER -138.18 106.05 7.96 Favored Pre-proline 0 C--O 1.216 -0.682 0 N-CA-C 114.449 1.277 . . . . 10.0 114.449 -178.131 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.753 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 38.2 Cg_endo -69.48 -48.3 0.81 Allowed 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 122.646 2.231 . . . . 10.0 111.698 177.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.72 -47.59 15.05 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 115.197 -0.911 . . . . 10.0 112.45 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 2.4 mm? -65.21 -23.78 67.17 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.822 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -82.44 -42.53 18.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.706 0.288 . . . . 10.0 110.844 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.87 -32.63 67.65 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.999 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.35 -36.78 71.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.857 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.72 -34.22 71.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.016 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.75 -40.88 96.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.527 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 88.8 p -76.77 -38.76 53.52 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' D' ' 50' ' ' LYS . 68.4 mmtt -68.83 -36.99 78.86 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.149 0.426 . . . . 10.0 112.149 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.41 -30.13 59.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.16 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 93.4 p -74.49 -30.11 61.7 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.94 0.4 . . . . 10.0 109.946 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -69.95 -36.64 75.44 Favored 'General case' 0 C--O 1.23 0.079 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -67.04 -35.79 80.65 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.209 -0.905 . . . . 10.0 110.422 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -62.35 -52.18 64.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.5 -0.773 . . . . 10.0 112.003 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' D' ' 56' ' ' LEU . 3.3 mm? -70.76 -27.18 63.75 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.17 0.804 . . . . 10.0 113.17 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.067 0.46 . . . . 10.0 110.096 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . 0.717 ' HA ' ' HE ' ' D' ' 58' ' ' ARG . 0.4 OUTLIER -82.45 -36.36 26.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.775 -0.648 . . . . 10.0 112.363 -179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -71.44 -37.48 71.42 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.81 -33.95 62.3 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.679 0.251 . . . . 10.0 111.679 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -73.46 -41.02 63.72 Favored 'General case' 0 C--N 1.334 -0.072 0 CA-C-O 120.72 0.295 . . . . 10.0 111.095 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p -70.15 -25.84 63.65 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.002 0.429 . . . . 10.0 110.494 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.47 ' O ' HG22 ' D' ' 67' ' ' VAL . 13.7 t-20 -76.28 -42.75 44.42 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.995 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 14.1 p -66.93 -38.17 85.66 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.475 0.546 . . . . 10.0 112.475 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . 0.479 ' O ' ' HB2' ' D' ' 69' ' ' LYS . 87.1 t -70.17 -32.82 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.814 0.34 . . . . 10.0 110.548 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -48.27 50.31 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.495 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.867 ' HB ' ' NH2' ' C' ' 80' ' ' ARG . 32.8 m -73.47 -39.41 54.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 113.82 1.045 . . . . 10.0 113.82 -178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -67.34 -40.87 85.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.759 0.314 . . . . 10.0 111.334 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' D' ' 65' ' ' VAL . 0.0 OUTLIER -68.21 -34.43 76.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.347 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -66.72 -33.06 74.79 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.396 -0.366 . . . . 10.0 111.638 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . 0.422 HG13 ' O ' ' D' ' 67' ' ' VAL . 84.8 mt -71.94 -44.57 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.928 0.394 . . . . 10.0 110.295 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.7 -43.59 98.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.462 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.56 -25.7 63.2 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.15 -0.477 . . . . 10.0 111.991 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.58 75.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.339 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.25 -39.64 83.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.759 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 68.3 mt -61.63 -35.1 65.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.024 -0.535 . . . . 10.0 110.692 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -83.43 -16.92 43.95 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.255 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -92.9 -1.28 56.87 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.333 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . 0.4 ' HD1' ' HA ' ' D' ' 79' ' ' PHE . 2.4 m-30 -58.4 -86.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.382 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.208 -0.901 . . . . 10.0 110.867 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.934 0.397 . . . . 10.0 111.765 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.68 150.47 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.4 p -92.23 121.57 66.37 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.563 0.221 . . . . 10.0 111.587 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.8 141.31 37.08 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.8 2.333 . . . . 10.0 112.584 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.791 ' HE1' HD23 ' B' ' 23' ' ' LEU . 16.7 t90 -75.97 110.92 10.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.015 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -88.88 128.74 35.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.67 0.271 . . . . 10.0 111.421 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.0 152.71 13.3 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.808 -0.71 . . . . 10.0 112.249 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.46 -37.46 82.96 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.837 0.31 . . . . 10.0 111.837 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.604 HD21 ' CD2' ' A' ' 68' ' ' PHE . 2.6 mm? -74.98 -22.19 58.69 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.615 -0.266 . . . . 10.0 111.395 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.415 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 25.7 t70 -68.8 -36.01 77.71 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.987 0.422 . . . . 10.0 110.05 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.32 -36.35 71.54 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.252 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.403 HG11 HG21 ' A' ' 64' ' ' THR . 59.7 t -70.01 -35.53 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.321 179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -68.23 -46.69 69.83 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.811 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.83 63.0 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.058 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' C' ' 35' ' ' ALA . 20.3 tptp -65.95 -42.95 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.551 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' O ' HG22 ' A' ' 20' ' ' VAL . 13.1 m-85 -71.49 -32.91 68.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.2 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -65.47 -42.3 92.41 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 112.538 0.57 . . . . 10.0 112.538 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -67.93 -24.18 65.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.113 0.483 . . . . 10.0 109.922 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.58 -37.96 45.01 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.581 -0.736 . . . . 10.0 112.327 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 16' ' ' PHE . 21.1 m -111.7 31.56 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 120.732 0.301 . . . . 10.0 111.766 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.77 -55.42 19.9 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.317 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -81.63 -10.74 59.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.36 0.6 . . . . 10.0 110.245 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 tm? -69.37 -32.18 71.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.57 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -60.03 -46.38 89.7 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.09 -0.504 . . . . 10.0 111.872 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.6 t -71.08 -26.23 62.97 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.397 -0.365 . . . . 10.0 111.501 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -70.66 -30.32 66.9 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.15 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 23' ' ' LEU . 86.2 t -70.64 -43.49 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.279 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 p -73.04 -25.13 60.83 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.537 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -72.73 -40.99 65.65 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.048 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.42 -24.27 54.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.789 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.7 tp -69.67 -46.64 65.63 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.618 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.74 -31.53 68.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.855 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 mttp -69.51 -36.14 76.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.795 -0.639 . . . . 10.0 110.937 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.429 HD23 ' HB3' ' A' ' 43' ' ' LEU . 1.4 tm? -76.57 -30.93 57.23 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.185 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -23.95 60.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.987 0.366 . . . . 10.0 111.987 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.96 4.6 53.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.765 0.317 . . . . 10.0 111.591 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -131.41 136.51 28.75 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.763 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.39 -66.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.693 2.262 . . . . 10.0 112.176 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 p -150.2 125.65 10.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 10.0 111.448 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.86 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -133.58 125.4 18.52 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.52 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -63.63 -36.09 54.98 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.425 2.084 . . . . 10.0 111.974 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.37 -37.23 60.71 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.748 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.86 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 4.0 mm? -72.24 -30.72 65.15 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.839 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.6 mt -72.69 -34.77 67.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.143 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.98 -35.26 64.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.683 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.68 -41.86 64.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.118 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -69.72 -34.37 73.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.216 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -40.21 79.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.885 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 27.7 t -72.83 -40.99 65.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.284 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -68.41 -33.22 73.85 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.1 tp -73.88 -29.66 62.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.948 0.404 . . . . 10.0 110.422 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.9 m -74.29 -29.79 61.8 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.523 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.969 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 45.2 mt-10 -68.66 -37.09 79.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.047 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -70.35 -32.5 70.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.901 -0.591 . . . . 10.0 109.583 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.48 -38.47 87.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.428 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.518 HD11 HD11 ' C' ' 44' ' ' LEU . 0.7 OUTLIER -70.13 -31.47 69.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.6 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 2.0 t80 -65.75 -41.61 91.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 10.0 110.139 178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -77.58 -33.35 53.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 10.0 112.423 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -73.15 -44.76 59.6 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.404 ' HB3' ' HE2' ' A' ' 16' ' ' PHE . . . -72.9 -31.11 64.43 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.851 0.315 . . . . 10.0 111.851 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 49.3 tt0 -67.71 -50.33 58.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.042 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.2 p -70.87 -21.24 62.43 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.689 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.592 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -70.16 -44.77 68.13 Favored 'General case' 0 C--O 1.227 -0.107 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.318 178.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.403 HG21 HG11 ' A' ' 12' ' ' VAL . 5.9 m -63.27 -38.14 89.99 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.08 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 89.2 t -68.13 -40.24 82.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.053 -0.522 . . . . 10.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -68.66 -38.5 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 63' ' ' ASN . 20.1 t -67.96 -52.37 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 113.823 1.046 . . . . 10.0 113.823 -178.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.83 ' HE2' ' HB3' ' D' ' 39' ' ' SER . 20.6 t80 -65.72 -35.57 81.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.487 -0.485 . . . . 10.0 112.281 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -62.89 -33.62 75.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.977 0.418 . . . . 10.0 110.486 178.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -71.38 -47.97 52.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.881 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -65.04 -39.07 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.702 ' HA ' HD12 ' A' ' 75' ' ' ILE . 9.6 t70 -70.55 -27.65 64.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.539 -0.301 . . . . 10.0 111.765 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.89 -32.12 70.29 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.789 0.328 . . . . 10.0 110.253 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.39 77.18 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.969 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 72' ' ' ASP . 18.0 mt -63.74 -40.39 88.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.73 0.776 . . . . 10.0 109.536 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.521 ' O ' ' HB2' ' A' ' 79' ' ' PHE . 3.7 mt -58.15 -42.98 84.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.664 -1.153 . . . . 10.0 111.307 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -74.95 -15.11 60.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.787 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -75.52 -21.07 58.29 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.36 -0.607 . . . . 10.0 109.36 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.521 ' HB2' ' O ' ' A' ' 76' ' ' ILE . 20.1 m-85 -58.03 118.9 5.9 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.155 -0.929 . . . . 10.0 109.808 177.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.112 -0.947 . . . . 10.0 111.943 -179.54 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.862 0.363 . . . . 10.0 111.182 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.84 148.88 35.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.4 p -92.85 118.47 67.92 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.995 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.56 136.55 31.15 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.778 2.318 . . . . 10.0 112.524 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' B' ' 10' ' ' ASP . 23.9 t90 -76.44 112.47 12.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.49 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 42.0 m -87.65 125.7 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.461 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.22 149.6 11.93 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.959 -0.639 . . . . 10.0 112.267 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -66.6 -37.64 85.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.612 0.244 . . . . 10.0 111.581 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.23 -22.19 58.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.357 -0.383 . . . . 10.0 111.723 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.403 ' HB2' ' CZ3' ' B' ' 5' ' ' TRP . 26.7 t70 -69.56 -33.99 73.54 Favored 'General case' 0 C--N 1.334 -0.106 0 N-CA-C 109.036 -0.728 . . . . 10.0 109.036 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.423 ' OD2' HD21 ' D' ' 31' ' ' LEU . 16.5 t70 -73.37 -36.15 66.05 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.199 -0.91 . . . . 10.0 110.141 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.508 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 84.8 t -67.82 -32.48 56.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.338 0.589 . . . . 10.0 109.951 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -71.22 -40.87 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.655 178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.39 -28.42 61.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.528 -0.76 . . . . 10.0 112.21 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.517 ' NZ ' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -64.28 -41.72 96.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.812 0.339 . . . . 10.0 111.019 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.669 ' O ' HG22 ' B' ' 20' ' ' VAL . 36.6 m-85 -73.54 -39.02 65.05 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.282 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -57.02 -50.52 72.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.334 1.235 . . . . 10.0 114.334 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 7.7 m -56.19 -32.88 64.76 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.713 0.634 . . . . 10.0 112.713 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.39 -43.15 16.6 Favored Glycine 0 CA--C 1.494 -1.236 0 C-N-CA 120.617 -0.801 . . . . 10.0 114.326 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.886 HG12 HD21 ' B' ' 23' ' ' LEU . 17.1 m -87.09 12.92 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.091 -0.554 . . . . 10.0 111.041 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.619 ' HA ' HE21 ' B' ' 24' ' ' GLN . 26.3 t70 -64.24 -43.14 95.85 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.706 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.408 ' O ' HG22 ' B' ' 25' ' ' THR . 7.3 t-20 -82.87 -27.35 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.429 0.529 . . . . 10.0 112.429 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.886 HD21 HG12 ' B' ' 20' ' ' VAL 0.29 3.8 pp -70.9 -20.39 62.5 Favored 'General case' 0 C--O 1.225 -0.221 0 N-CA-C 113.302 0.853 . . . . 10.0 113.302 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.619 HE21 ' HA ' ' B' ' 21' ' ' ASP . 48.3 mt-30 -57.49 -47.49 81.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.016 0.436 . . . . 10.0 110.038 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.408 HG22 ' O ' ' B' ' 22' ' ' ASN . 15.0 t -73.32 -26.05 60.89 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.579 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -70.04 -29.6 66.67 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.848 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 23' ' ' LEU . 92.6 t -70.58 -45.03 76.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 38.0 p -71.67 -26.4 62.51 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.202 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 25' ' ' THR . 1.1 tm-20 -72.05 -41.25 67.67 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.277 -0.42 . . . . 10.0 109.999 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.16 -24.37 57.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.828 -0.624 . . . . 10.0 110.759 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 tp -71.32 -45.59 62.66 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.504 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -70.67 -31.57 68.53 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.999 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -69.49 -34.59 74.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.947 -0.569 . . . . 10.0 110.873 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' B' ' 34' ' ' LEU . 1.0 OUTLIER -76.13 -31.09 58.46 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.673 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.67 -21.31 57.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.556 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.07 4.43 53.92 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.28 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -132.1 146.08 60.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.938 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -66.4 -61.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.595 2.197 . . . . 10.0 111.272 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.7 p -160.97 125.8 3.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.955 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.666 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -132.38 124.86 19.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.527 179.681 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -63.23 -31.69 74.16 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.37 2.046 . . . . 10.0 111.672 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.67 -41.58 60.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.333 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.666 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.4 mm? -72.63 -23.33 60.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.9 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.93 -44.72 65.59 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 116.645 -0.252 . . . . 10.0 111.308 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.2 -28.94 61.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.966 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.77 -42.44 70.42 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.462 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -72.05 -33.7 68.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.498 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -41.38 79.23 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.823 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 43.4 t -70.2 -39.18 75.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.787 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -71.59 -31.84 67.37 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.815 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.55 -31.78 62.23 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.032 0.444 . . . . 10.0 109.82 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.2 m -73.7 -29.21 62.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.364 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -69.67 -36.91 76.43 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.069 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -69.49 -32.39 71.24 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -69.72 -29.88 67.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.601 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.47 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -66.02 -35.46 80.61 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.078 179.028 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 9.1 t80 -67.26 -48.46 67.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.702 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.458 ' HD3' HH11 ' B' ' 58' ' ' ARG . 3.0 mmp_? -75.63 -24.23 56.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.391 0.885 . . . . 10.0 113.391 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -78.26 -58.32 3.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.673 0.99 . . . . 10.0 113.673 -178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.98 -30.26 70.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.472 0.177 . . . . 10.0 111.301 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.433 ' O ' HG23 ' B' ' 65' ' ' VAL . 50.6 tt0 -67.33 -45.11 77.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.382 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 79.0 p -70.94 -21.16 62.38 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.673 0.273 . . . . 10.0 111.27 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.645 ' O ' HG23 ' B' ' 67' ' ' VAL . 0.4 OUTLIER -75.75 -45.35 36.89 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.418 179.569 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -61.51 -37.5 83.94 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.688 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 61' ' ' GLN . 59.1 t -67.17 -37.63 79.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.848 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -71.46 -33.33 69.24 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.792 0.664 . . . . 10.0 112.792 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 63' ' ' ASN . 23.6 t -66.35 -53.03 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 N-CA-C 113.009 0.744 . . . . 10.0 113.009 -178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -70.11 -35.17 73.94 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.57 0.582 . . . . 10.0 112.57 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.446 ' NZ ' ' HA ' ' B' ' 69' ' ' LYS . 3.0 mmpm? -65.13 -34.65 78.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.708 0.29 . . . . 10.0 111.543 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -71.39 -46.14 61.06 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.185 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.438 ' O ' HG13 ' B' ' 75' ' ' ILE . 1.2 pt -71.43 -29.2 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 CA-C-N 116.395 -0.366 . . . . 10.0 111.857 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.574 ' HA ' HD12 ' B' ' 75' ' ' ILE . 32.8 t70 -72.28 -32.88 67.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.36 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.88 -32.51 73.06 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.026 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.85 87.35 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.745 -0.662 . . . . 10.0 110.811 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' B' ' 72' ' ' ASP . 10.8 mt -65.84 -43.08 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.786 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.489 ' HA ' ' HD2' ' B' ' 79' ' ' PHE . 76.0 mt -61.35 -35.57 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.016 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -77.77 -16.35 58.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.181 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -80.25 -22.51 41.64 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.56 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.489 ' HD2' ' HA ' ' B' ' 76' ' ' ILE . 30.7 m-85 -63.04 126.12 26.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.742 178.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.053 -0.975 . . . . 10.0 111.619 -179.867 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.743 0.306 . . . . 10.0 111.105 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.82 147.99 43.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 23.8 p -92.96 119.55 67.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.69 160.49 37.81 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.898 2.399 . . . . 10.0 112.745 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . 0.432 ' CE3' ' HB2' ' C' ' 10' ' ' ASP . 8.0 t90 -81.78 125.42 30.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.775 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -102.56 126.59 49.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.509 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.58 158.53 21.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.946 -0.645 . . . . 10.0 112.539 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.04 -33.82 76.36 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.949 0.404 . . . . 10.0 111.376 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.591 ' H ' HD12 ' C' ' 9' ' ' LEU . 3.5 mp -74.23 -23.14 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.8 -0.636 . . . . 10.0 111.094 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.432 ' HB2' ' CE3' ' C' ' 5' ' ' TRP . 20.8 t70 -71.69 -34.59 69.78 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.399 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -73.05 -37.44 66.85 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.783 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.519 HG11 HG21 ' C' ' 64' ' ' THR . 59.4 t -69.19 -35.97 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.698 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -67.4 -46.57 72.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.683 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -25.57 63.8 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.421 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -65.56 -39.48 91.74 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 10.0 110.707 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.515 ' O ' HG22 ' C' ' 20' ' ' VAL . 18.5 m-30 -75.5 -33.39 60.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.069 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -65.16 -39.54 93.1 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.933 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 16.3 m -70.43 -29.47 66.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.928 0.394 . . . . 10.0 110.767 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.48 -34.33 60.43 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.016 -0.611 . . . . 10.0 112.276 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.515 HG22 ' O ' ' C' ' 16' ' ' PHE . 29.2 m -110.15 30.34 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.768 0.318 . . . . 10.0 111.484 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.11 -55.9 18.68 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.413 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -83.86 -9.11 58.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.224 0.535 . . . . 10.0 110.33 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.462 ' O ' HG23 ' C' ' 27' ' ' VAL . 2.9 tm? -69.22 -33.87 73.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.034 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -59.25 -45.58 90.79 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.13 -0.486 . . . . 10.0 112.089 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -71.67 -26.01 62.35 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.548 -0.297 . . . . 10.0 111.599 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.46 -28.5 63.99 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.773 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.462 HG23 ' O ' ' C' ' 23' ' ' LEU . 92.5 t -70.15 -46.4 72.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.065 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.115 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 38.3 p -71.13 -25.81 62.74 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.487 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.79 -44.14 67.23 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.324 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.77 -24.07 52.91 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.965 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 32.7 tp -71.2 -42.96 68.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.505 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -31.39 68.14 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.62 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 25.6 mttp -71.71 -35.91 70.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.675 -0.693 . . . . 10.0 112.289 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -73.44 -52.03 15.12 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . . . -64.79 -21.12 66.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.87 21.02 15.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.307 0.575 . . . . 10.0 111.066 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 14.9 tptt -141.88 124.64 9.42 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.89 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.969 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 59.6 Cg_exo -42.72 -72.66 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.86 3.04 . . . . 10.0 114.241 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 52.2 p -154.54 125.73 7.3 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.963 0.411 . . . . 10.0 111.844 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.849 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 3.9 m-20 -136.71 119.04 11.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.489 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -63.88 -32.41 66.4 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.185 1.923 . . . . 10.0 112.0 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.6 -35.12 60.62 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.546 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.849 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.2 mm? -72.71 -29.73 63.62 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.738 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 56' ' ' LEU . 36.5 mt -72.52 -36.7 68.39 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.167 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.27 -32.75 63.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.73 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.99 -45.24 59.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.276 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -67.58 -34.64 77.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.469 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -40.1 84.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.231 -0.44 . . . . 10.0 111.055 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 33.6 t -74.76 -39.17 61.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 10.0 111.507 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 33.4 mmtm -66.65 -40.66 88.77 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.853 0.686 . . . . 10.0 112.853 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tp -72.23 -29.79 64.28 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.976 -0.289 . . . . 10.0 111.451 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 66.3 m -73.37 -29.5 62.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.717 0.294 . . . . 10.0 110.317 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.16 -37.16 86.46 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 108.617 -0.883 . . . . 10.0 108.617 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -71.57 -31.49 67.03 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.343 -0.844 . . . . 10.0 109.063 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -63.81 -44.36 93.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.864 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.0 OUTLIER -70.77 -28.09 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . 0.497 ' HD1' ' HB3' ' C' ' 16' ' ' PHE . 0.2 OUTLIER -65.38 -40.37 93.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.994 0.426 . . . . 10.0 109.897 178.441 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.498 ' NH2' ' HB3' ' C' ' 61' ' ' GLN . 2.3 mmp_? -78.76 -35.77 44.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.625 -0.716 . . . . 10.0 112.351 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -69.04 -36.38 77.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.143 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.36 -31.62 54.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.36 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.498 ' HB3' ' NH2' ' C' ' 58' ' ' ARG . 35.7 tt0 -69.69 -45.8 67.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 29.0 m -69.02 -28.11 66.27 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.161 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . 0.433 ' O ' HG23 ' C' ' 67' ' ' VAL . 0.3 OUTLIER -68.25 -46.67 69.83 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.964 179.542 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . 0.519 HG21 HG11 ' C' ' 12' ' ' VAL . 28.8 m -62.43 -38.29 89.15 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.833 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 93.3 t -64.63 -46.89 91.08 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.26 179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -68.81 -32.46 72.19 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.743 0.646 . . . . 10.0 112.743 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . 0.433 HG23 ' O ' ' C' ' 63' ' ' ASN . 53.9 t -69.6 -55.1 16.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 113.165 0.802 . . . . 10.0 113.165 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -66.63 -32.39 73.68 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 0.5 OUTLIER -69.57 -34.46 74.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.644 0.259 . . . . 10.0 111.48 179.825 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.89 -49.44 61.94 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.375 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 pt -69.46 -33.17 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -72.31 -29.11 63.53 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.789 0.328 . . . . 10.0 110.953 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.21 66.15 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.161 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.57 -34.21 65.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.657 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -66.77 -47.56 82.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . 0.796 ' HA ' ' HD2' ' C' ' 79' ' ' PHE . 1.1 pt -68.54 -22.97 27.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.997 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -80.67 -18.74 47.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.895 0.379 . . . . 10.0 110.31 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -79.63 -24.97 41.54 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.198 -0.668 . . . . 10.0 109.198 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . 0.796 ' HD2' ' HA ' ' C' ' 76' ' ' ILE . 10.3 m-85 -57.74 126.16 26.16 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.152 -0.931 . . . . 10.0 110.94 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.095 -0.955 . . . . 10.0 111.691 -179.773 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.783 0.325 . . . . 10.0 111.179 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.43 148.91 38.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.99 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 20.4 p -92.83 117.99 67.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.55 139.91 35.18 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.699 2.266 . . . . 10.0 112.443 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 23.9 t90 -77.36 112.28 13.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.484 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 43.9 m -91.36 131.66 36.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.521 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.24 156.37 20.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.02 -0.61 . . . . 10.0 112.264 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -66.87 -37.3 84.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.702 0.287 . . . . 10.0 111.756 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -74.66 -22.08 59.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.464 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.88 -37.59 70.13 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.416 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -70.13 -37.89 75.42 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.722 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -69.64 -38.08 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.597 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 38.6 t -66.28 -44.69 82.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.881 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.99 -27.88 66.1 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.022 -0.536 . . . . 10.0 111.331 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -66.8 -37.15 83.97 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.559 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.484 ' O ' HG22 ' D' ' 20' ' ' VAL . 13.2 m-85 -74.92 -36.42 62.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.883 -0.599 . . . . 10.0 110.943 179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.15 -39.88 93.59 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.75 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 25.5 m -70.34 -30.14 67.01 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.993 0.425 . . . . 10.0 110.75 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.55 -32.93 64.16 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.411 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.484 HG22 ' O ' ' D' ' 16' ' ' PHE . 27.2 m -111.49 28.83 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.919 0.39 . . . . 10.0 111.172 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.1 -53.41 55.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.344 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.61 -9.71 59.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.664 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.436 ' O ' HG23 ' D' ' 27' ' ' VAL . 0.9 OUTLIER -71.01 -29.67 65.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.643 179.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -62.78 -44.47 96.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.683 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 12.3 t -73.67 -26.03 60.54 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.655 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -71.52 -31.32 66.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.445 -0.343 . . . . 10.0 111.149 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.436 HG23 ' O ' ' D' ' 23' ' ' LEU . 82.3 t -72.2 -42.19 66.62 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.433 179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 41.3 p -72.59 -24.73 61.13 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.301 -0.408 . . . . 10.0 111.38 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -72.85 -41.74 64.48 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.104 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.42 -24.31 57.09 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.499 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.423 HD21 ' OD2' ' B' ' 11' ' ' ASP . 4.1 tt -65.77 -51.81 56.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.33 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.1 -31.69 68.11 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.902 -0.59 . . . . 10.0 111.792 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -65.67 -40.34 92.3 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.016 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 52.0 tp -77.73 -24.41 49.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.656 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . 0.517 ' HA ' ' NZ ' ' B' ' 15' ' ' LYS . . . -55.21 -44.38 75.3 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.386 0.513 . . . . 10.0 112.386 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . 0.341 . . -98.6 25.86 6.08 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 114.776 1.399 . . . . 10.0 114.776 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -148.86 99.73 3.5 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.074 -0.966 . . . . 10.0 109.735 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.09 -73.51 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.56 0 C-N-CA 124.163 3.242 . . . . 10.0 113.893 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . 0.83 ' HB3' ' HE2' ' A' ' 68' ' ' PHE . 51.1 m -92.25 124.12 36.09 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.614 ' HB3' ' HB2' ' D' ' 43' ' ' LEU . 7.0 m-20 -138.4 115.32 9.08 Favored Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 114.352 1.241 . . . . 10.0 114.352 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -69.56 -48.24 0.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.63 2.22 . . . . 10.0 111.311 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.47 -42.55 22.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.227 -1.351 . . . . 10.0 113.55 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.614 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.1 mm? -67.66 -38.72 84.17 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.0 OUTLIER -69.08 -30.87 69.27 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.923 0.392 . . . . 10.0 110.3 178.484 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.12 -50.93 68.54 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.582 -0.735 . . . . 10.0 110.902 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.74 -38.2 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.259 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -65.43 -33.91 77.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.256 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -69.25 -44.85 71.11 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.823 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 50.0 m -72.15 -39.99 68.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 10.0 112.204 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -70.6 -26.75 63.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.587 0.588 . . . . 10.0 112.587 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mt -73.27 -35.37 66.16 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . 0.514 ' O ' ' HB3' ' D' ' 55' ' ' ASN . 50.0 m -74.37 -28.31 61.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.474 -0.784 . . . . 10.0 110.572 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -66.19 -37.6 85.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.753 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -74.54 -29.08 61.24 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . 0.784 HD22 HD22 ' D' ' 56' ' ' LEU . 2.2 t30 -60.4 -46.46 89.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.866 -1.061 . . . . 10.0 110.665 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.784 HD22 HD22 ' D' ' 55' ' ' ASN . 3.0 mm? -74.58 -28.26 60.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 113.688 0.996 . . . . 10.0 113.688 -179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' D' ' 61' ' ' GLN . 14.6 t80 -60.96 -40.36 93.07 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -83.41 -33.92 25.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.663 -0.699 . . . . 10.0 112.607 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -70.18 -53.38 17.37 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.28 83.25 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.256 0.465 . . . . 10.0 112.256 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' D' ' 57' ' ' TYR . 55.3 tt0 -62.8 -48.55 78.62 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.676 0.274 . . . . 10.0 111.453 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -69.99 -23.73 63.2 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.233 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.578 ' O ' HG23 ' D' ' 67' ' ' VAL . 0.8 OUTLIER -72.44 -41.32 66.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 10.0 111.649 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 5.8 m -64.93 -38.34 90.65 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.738 0.304 . . . . 10.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 42.8 t -68.57 -32.39 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.099 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -69.53 -30.81 68.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.677 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.578 HG23 ' O ' ' D' ' 63' ' ' ASN . 41.5 t -69.21 -57.13 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.517 -0.31 . . . . 10.0 111.59 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -61.46 -40.05 93.08 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 112.644 0.609 . . . . 10.0 112.644 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.453 ' HA ' ' NZ ' ' D' ' 69' ' ' LYS . 0.3 OUTLIER -64.68 -34.72 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.929 0.344 . . . . 10.0 111.929 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -71.94 -51.05 23.95 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.867 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 34.9 pt -68.76 -31.11 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.97 -32.87 67.68 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.604 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.83 -32.52 73.85 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.488 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.08 -37.57 78.54 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.791 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 51.9 mt -67.94 -39.01 80.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.637 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . 0.498 ' HA ' ' HD2' ' D' ' 79' ' ' PHE . 93.1 mt -62.46 -35.69 71.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.094 -0.503 . . . . 10.0 110.576 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -76.49 -19.02 58.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.473 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -76.48 -24.73 53.81 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.671 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' D' ' 76' ' ' ILE . 32.7 m-85 -61.42 125.37 23.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.982 178.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.141 -0.933 . . . . 10.0 111.632 -179.749 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.667 0.27 . . . . 10.0 111.329 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.91 137.01 32.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.208 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.1 p -108.92 110.65 60.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.262 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.37 155.84 45.98 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.715 2.277 . . . . 10.0 112.54 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 84.8 t90 -68.57 111.77 4.95 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.867 -0.606 . . . . 10.0 111.106 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -141.73 144.89 34.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.89 0.376 . . . . 10.0 111.331 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.8 162.05 26.67 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.444 -0.662 . . . . 10.0 111.444 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -66.92 -32.42 73.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.424 0.631 . . . . 10.0 109.59 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.5 tp -74.99 -34.63 61.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.806 -1.088 . . . . 10.0 110.418 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.58 -27.87 63.43 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.104 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -71.54 -36.5 71.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.496 -0.774 . . . . 10.0 110.37 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.731 HG11 HG21 ' A' ' 64' ' ' THR . 81.6 t -68.01 -36.42 75.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.412 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.2 m -70.3 -36.37 74.3 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.231 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.31 -23.09 57.27 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.077 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -65.56 -49.35 69.19 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.566 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.536 ' O ' HG22 ' A' ' 20' ' ' VAL . 20.5 m-85 -71.9 -27.38 62.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.474 -0.784 . . . . 10.0 110.909 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.55 -51.27 63.7 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.687 0.625 . . . . 10.0 112.687 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -70.47 -23.85 62.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.078 0.466 . . . . 10.0 109.878 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.2 -44.62 65.22 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.575 -0.739 . . . . 10.0 112.825 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 28.8 m -111.45 31.56 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 111.793 0.294 . . . . 10.0 111.793 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.74 -56.23 24.48 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -84.96 -9.3 58.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.894 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.537 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.2 tm? -71.09 -41.57 70.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.63 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 30.4 mm-40 -61.56 -41.43 97.36 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.762 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 m -66.96 -30.48 70.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.107 -0.497 . . . . 10.0 110.874 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -73.69 -25.01 60.03 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.367 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 23' ' ' LEU . 50.9 t -69.26 -47.35 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.904 0.383 . . . . 10.0 110.32 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.5 p -69.3 -34.29 74.48 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.875 -0.602 . . . . 10.0 111.341 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -68.0 -40.69 82.99 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.392 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.44 -24.3 61.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.278 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.2 tp -72.9 -38.95 66.74 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.912 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.02 -34.26 73.06 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.874 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -71.35 -35.31 71.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.649 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -71.19 -31.93 68.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.905 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.64 -25.64 61.36 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.281 0.474 . . . . 10.0 112.281 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -97.36 3.38 51.1 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.768 0.284 . . . . 10.0 111.768 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 43.2 mmtm -123.13 134.35 25.07 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.274 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 24.0 Cg_exo -65.61 -67.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.905 2.403 . . . . 10.0 112.13 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.3 p -137.24 124.88 22.28 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.883 0.373 . . . . 10.0 111.456 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' CG ' ' HB2' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -137.91 113.26 9.06 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.782 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.59 -31.7 59.62 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.561 2.174 . . . . 10.0 112.505 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.73 -48.17 19.6 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.445 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . 3.7 mm? -71.81 -25.77 62.13 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.64 0.607 . . . . 10.0 112.64 -178.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 tp -71.1 -41.01 71.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.858 0.361 . . . . 10.0 110.435 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.13 -31.59 62.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.877 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.05 -46.64 61.65 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.152 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -67.59 -33.86 75.87 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.194 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -65.67 -44.66 85.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.185 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 44.5 t -71.72 -41.49 68.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 10.0 111.657 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 36.6 mmtm -70.04 -28.24 65.31 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.518 0.562 . . . . 10.0 112.518 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 43.0 tp -75.22 -31.21 60.81 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.001 0.429 . . . . 10.0 109.963 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.2 m -73.26 -35.39 66.19 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.641 -0.709 . . . . 10.0 110.017 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.469 ' CD ' ' HB3' ' C' ' 38' ' ' PRO . 44.5 mt-10 -67.52 -36.88 81.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.486 -0.779 . . . . 10.0 110.003 178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.431 ' HD1' HE22 ' A' ' 24' ' ' GLN . 42.5 t80 -63.78 -38.06 89.68 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.713 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -63.89 -40.71 97.15 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.613 -0.721 . . . . 10.0 110.213 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 56' ' ' LEU . 1.4 mm? -65.72 -30.72 71.43 Favored 'General case' 0 C--O 1.227 -0.121 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.788 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -64.89 -50.85 64.94 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.632 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -76.91 -28.54 55.35 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.464 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -72.3 -43.3 64.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.806 -0.179 . . . . 10.0 111.253 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.55 79.21 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 120.741 0.305 . . . . 10.0 110.645 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -72.68 -40.34 66.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.451 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.5 p -71.06 -27.52 63.7 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.518 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -75.31 -31.76 60.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.854 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.731 HG21 HG11 ' A' ' 12' ' ' VAL . 3.7 m -69.56 -49.37 54.91 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.292 -0.413 . . . . 10.0 111.323 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.22 -35.35 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 111.913 0.338 . . . . 10.0 111.913 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -71.07 -48.32 53.25 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.915 0.709 . . . . 10.0 112.915 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 71' ' ' ILE . 11.2 t -77.85 -42.37 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.646 ' CZ ' ' HD3' ' D' ' 41' ' ' PRO . 76.1 t80 -59.54 -34.23 72.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.353 . . . . 10.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 69' ' ' LYS . 2.4 tppt? -73.86 -34.43 64.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.57 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -59.16 -34.76 72.48 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.733 0.301 . . . . 10.0 111.163 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.557 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.4 mt -70.69 -49.01 54.62 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.646 0 CA-C-N 115.978 -0.555 . . . . 10.0 109.841 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.573 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 2.2 t70 -57.04 -35.87 69.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.807 -1.088 . . . . 10.0 112.263 -179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.48 -21.63 41.8 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.067 0.395 . . . . 10.0 112.067 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -49.52 26.54 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.694 0.283 . . . . 10.0 111.71 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 71' ' ' ILE . 3.3 mt -67.85 -35.94 74.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-O 121.699 0.761 . . . . 10.0 109.389 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.738 ' HA ' ' HD2' ' A' ' 79' ' ' PHE . 0.2 OUTLIER -61.42 -34.35 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 114.497 -1.228 . . . . 10.0 111.835 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -83.89 -15.07 49.42 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.212 0.53 . . . . 10.0 110.028 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -84.3 -8.66 58.95 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.411 -0.813 . . . . 10.0 109.529 177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.738 ' HD2' ' HA ' ' A' ' 76' ' ' ILE . 1.7 m-85 -55.24 -84.54 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.944 -1.026 . . . . 10.0 109.552 177.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.218 -0.896 . . . . 10.0 111.156 179.295 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.694 0.283 . . . . 10.0 111.098 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.16 141.11 28.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.3 p -111.5 108.58 56.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.2 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.83 150.12 49.09 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.679 2.253 . . . . 10.0 112.164 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -67.43 111.82 4.29 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.242 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -137.95 139.83 39.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.85 165.69 25.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.793 -0.717 . . . . 10.0 112.327 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -67.39 -43.66 80.82 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.885 0.328 . . . . 10.0 111.885 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.462 ' O ' HG12 ' B' ' 12' ' ' VAL . 0.9 OUTLIER -74.98 -28.08 60.41 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.835 0.35 . . . . 10.0 110.839 179.207 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -72.86 -32.82 65.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.533 . . . . 10.0 109.701 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' B' ' 15' ' ' LYS . 32.4 t70 -70.14 -44.03 69.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.441 -0.799 . . . . 10.0 110.698 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.529 HG23 HD11 ' D' ' 31' ' ' LEU . 2.8 p -61.58 -33.33 56.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.819 0.342 . . . . 10.0 111.784 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m -69.49 -31.68 70.11 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.87 -25.68 56.38 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.576 -0.738 . . . . 10.0 112.362 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.477 ' HG2' ' HA ' ' B' ' 12' ' ' VAL . 13.1 mmmt -67.77 -45.29 75.3 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 109.651 -0.499 . . . . 10.0 109.651 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.403 ' HE1' ' CD2' ' D' ' 34' ' ' LEU . 24.8 m-85 -70.66 -28.98 65.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.466 -0.788 . . . . 10.0 109.888 178.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.58 -53.8 25.23 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 114.406 1.262 . . . . 10.0 114.406 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -71.06 -26.24 62.98 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.078 0.466 . . . . 10.0 111.212 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.98 -38.13 36.47 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.796 -0.638 . . . . 10.0 113.802 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.795 HG13 HD23 ' B' ' 23' ' ' LEU . 2.5 t -109.86 30.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.319 0.581 . . . . 10.0 110.401 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.48 -51.44 29.06 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.385 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -78.91 -22.09 46.37 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.144 0.424 . . . . 10.0 112.144 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.795 HD23 HG13 ' B' ' 20' ' ' VAL . 17.9 tp -69.2 -33.7 73.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.565 -0.288 . . . . 10.0 111.206 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' B' ' 20' ' ' VAL . 30.7 mm-40 -62.02 -40.43 95.68 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.908 0.385 . . . . 10.0 111.336 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.4 m -70.25 -29.41 66.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.392 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.74 -25.5 62.95 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.062 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 23' ' ' LEU . 48.7 t -70.46 -48.47 59.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.216 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 30.8 p -67.26 -32.71 73.9 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.164 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -70.97 -39.04 72.77 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.1 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.35 60.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.174 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 45.8 tp -71.52 -39.6 70.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.553 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -70.43 -35.0 73.11 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.686 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -71.41 -30.03 65.6 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.0 -0.546 . . . . 10.0 110.839 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.58 -36.99 71.06 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.323 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.88 -17.4 59.8 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.025 -0.534 . . . . 10.0 111.817 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.98 2.49 53.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.761 0.315 . . . . 10.0 111.537 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -128.51 142.09 43.65 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.116 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -68.85 -58.23 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.752 2.301 . . . . 10.0 111.557 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 39.5 p -151.19 125.98 9.68 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.932 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.448 ' CG ' ' HB2' ' B' ' 43' ' ' LEU . 1.2 p30 -136.56 112.93 10.03 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 112.111 0.411 . . . . 10.0 112.111 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.95 -29.32 66.83 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.684 2.256 . . . . 10.0 112.318 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.61 -49.6 15.87 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.244 0.461 . . . . 10.0 112.244 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' CG ' ' B' ' 40' ' ' ASP . 4.0 mm? -72.35 -21.86 61.25 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.0 tp -72.76 -42.55 63.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.928 0.394 . . . . 10.0 110.258 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -32.03 63.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.632 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.76 60.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.914 -0.584 . . . . 10.0 111.105 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -67.24 -33.41 75.28 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.489 -0.323 . . . . 10.0 110.756 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.78 -41.09 96.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.907 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' B' ' 53' ' ' GLU . 40.2 t -76.3 -39.63 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.672 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.549 ' HD2' ' CD1' ' B' ' 23' ' ' LEU . 41.0 mmtm -72.5 -34.73 67.84 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 113.035 0.754 . . . . 10.0 113.035 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 52.4 tp -71.84 -33.86 68.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.281 0.562 . . . . 10.0 109.567 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.1 m -72.51 -29.53 63.69 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.241 -0.891 . . . . 10.0 110.66 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' B' ' 49' ' ' SER . 40.9 mt-10 -72.02 -35.96 69.55 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.106 178.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -62.76 -36.57 83.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.824 -0.625 . . . . 10.0 109.487 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -65.73 -35.34 80.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.538 -0.756 . . . . 10.0 109.865 178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -28.29 67.4 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.602 -0.727 . . . . 10.0 111.303 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' B' ' 58' ' ' ARG . 0.2 OUTLIER -71.95 -49.51 36.83 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.627 -0.26 . . . . 10.0 111.526 179.704 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.4 ' HG2' ' CE2' ' B' ' 57' ' ' TYR . 0.5 OUTLIER -74.02 -16.84 61.04 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.336 0.495 . . . . 10.0 112.336 -179.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -79.14 -58.58 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.274 0.842 . . . . 10.0 113.274 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.38 -33.65 74.03 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.424 0.154 . . . . 10.0 110.821 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.403 ' O ' HG23 ' B' ' 65' ' ' VAL . 32.8 tt0 -67.13 -43.37 82.58 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-O 120.853 0.358 . . . . 10.0 110.369 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -71.25 -31.68 67.82 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.836 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.443 ' O ' HG23 ' B' ' 67' ' ' VAL . 84.1 m-20 -72.23 -39.58 68.39 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.772 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 7.6 p -68.63 -38.77 80.78 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 111.685 0.254 . . . . 10.0 111.685 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 61' ' ' GLN . 65.5 t -62.84 -35.21 70.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.051 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.97 -49.09 26.11 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.632 0.604 . . . . 10.0 112.632 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.578 ' O ' HG13 ' B' ' 71' ' ' ILE . 15.0 t -68.32 -46.45 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . 0.646 ' HA ' HD12 ' B' ' 71' ' ' ILE . 83.0 t80 -61.63 -32.52 72.66 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 111.904 0.335 . . . . 10.0 111.904 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -69.79 -34.93 74.4 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.748 -0.205 . . . . 10.0 111.521 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.61 -26.48 64.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.475 179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' B' ' 68' ' ' PHE . 46.3 mt -70.17 -50.62 45.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.723 -0.671 . . . . 10.0 110.45 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.53 -33.59 76.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.54 -0.755 . . . . 10.0 111.755 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.15 -27.72 62.78 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.318 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.92 75.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.947 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 10.1 mt -66.27 -41.68 89.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.792 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.637 ' HA ' ' HD2' ' B' ' 79' ' ' PHE . 94.2 mt -61.88 -35.92 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.237 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -78.37 -20.89 50.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.358 -0.383 . . . . 10.0 111.313 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -87.7 -7.35 57.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.142 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.637 ' HD2' ' HA ' ' B' ' 76' ' ' ILE . 2.2 m-85 -62.32 -84.77 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.352 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.27 -0.872 . . . . 10.0 111.35 179.312 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.809 0.338 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.96 141.02 29.09 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.075 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 18.3 p -121.07 112.1 33.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -77.58 167.44 24.21 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.882 2.388 . . . . 10.0 111.77 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 48.5 t90 -76.43 112.71 13.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.967 0.413 . . . . 10.0 111.475 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 2.9 p -153.73 119.66 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.772 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.6 -173.18 14.15 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.807 -0.711 . . . . 10.0 112.672 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . 0.418 ' O ' HG23 ' C' ' 12' ' ' VAL . 85.0 m-85 -66.82 -40.46 88.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.826 0.346 . . . . 10.0 111.395 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 37.3 tp -70.8 -35.99 72.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.951 -0.568 . . . . 10.0 111.195 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.92 -29.2 69.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.576 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -73.05 -36.25 66.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.936 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.798 HG11 HG21 ' C' ' 64' ' ' THR . 46.7 t -69.93 -37.44 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.878 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 66.0 m -68.73 -38.7 80.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.495 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.78 -23.11 58.46 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.959 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -43.4 87.14 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.437 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.505 ' O ' HG22 ' C' ' 20' ' ' VAL . 30.1 m-85 -76.9 -28.43 55.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.628 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.5 -45.64 89.76 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.01 -0.541 . . . . 10.0 112.061 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 6.0 m -72.38 -27.05 62.14 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.794 0.33 . . . . 10.0 111.287 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.9 -41.5 72.3 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.516 ' O ' ' HG2' ' C' ' 24' ' ' GLN . 27.5 m -108.8 31.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.753 0.279 . . . . 10.0 111.753 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.31 -55.03 40.04 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.119 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -91.89 -7.03 50.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.887 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.533 ' O ' HG23 ' C' ' 27' ' ' VAL . 3.3 tm? -71.04 -40.76 71.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.114 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' C' ' 20' ' ' VAL . 33.2 mm-40 -61.95 -39.63 92.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.169 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 4.7 m -68.56 -31.6 70.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.864 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -73.83 -25.66 60.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.309 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.533 HG23 ' O ' ' C' ' 23' ' ' LEU . 92.9 t -67.39 -48.15 78.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 120.848 0.356 . . . . 10.0 110.212 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 24.0 p -69.08 -32.92 72.72 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.395 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -68.74 -43.77 75.18 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.647 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.75 -24.3 61.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.894 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 51.5 tp -72.53 -40.37 66.82 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.893 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.45 -30.66 68.62 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.343 -0.39 . . . . 10.0 110.591 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 64.1 mttp -71.38 -45.11 63.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.329 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -70.01 -29.07 66.04 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.798 0.333 . . . . 10.0 111.016 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.09 -36.89 83.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 10.0 112.135 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.49 25.18 12.06 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 1.1 mptp? -125.24 120.96 25.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.335 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.469 ' HB3' ' CD ' ' A' ' 53' ' ' GLU . 95.1 Cg_exo -48.67 -71.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.653 2.902 . . . . 10.0 113.51 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 77.4 p -148.07 124.81 11.16 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.03 0.443 . . . . 10.0 112.029 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.426 ' HA ' ' HD2' ' C' ' 41' ' ' PRO . 0.5 OUTLIER -137.64 111.7 8.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.68 -0.691 . . . . 10.0 111.794 179.548 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 29.5 Cg_endo -64.28 -28.71 63.84 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.519 2.146 . . . . 10.0 112.541 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.88 -47.96 19.7 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.068 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.71 -24.48 61.0 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -69.52 -41.9 75.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.789 0.328 . . . . 10.0 110.431 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.07 -29.55 61.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.674 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.88 -47.74 57.56 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.272 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -67.36 -34.0 76.4 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.52 -0.309 . . . . 10.0 111.276 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.56 -42.06 87.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.953 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 46.0 t -74.45 -38.86 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.859 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' C' ' 50' ' ' LYS . 37.4 mmtm -74.11 -26.51 60.38 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 19.7 tp -75.05 -35.86 61.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.806 0.336 . . . . 10.0 110.571 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 12.1 p -74.51 -30.09 61.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.301 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.5 -36.49 84.37 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . 0.492 ' HD1' HE22 ' C' ' 24' ' ' GLN . 47.0 t80 -67.8 -37.49 82.06 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.449 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.17 -48.26 82.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.287 -0.87 . . . . 10.0 111.297 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.3 mm? -67.75 -27.76 67.06 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 -53.08 61.88 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.628 0.251 . . . . 10.0 111.502 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.648 ' CZ ' ' HB1' ' D' ' 45' ' ' ALA . 0.0 OUTLIER -86.53 -15.56 39.63 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -178.737 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -78.27 -34.1 49.14 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.99 58.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.824 -0.625 . . . . 10.0 110.266 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.473 HE21 ' HD2' ' C' ' 16' ' ' PHE . 14.9 tt0 -71.97 -35.62 69.59 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.637 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . . . . . . . . . 77.7 p -71.26 -28.65 64.31 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.04 0.448 . . . . 10.0 110.588 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -77.45 -33.22 54.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.648 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . 0.798 HG21 HG11 ' C' ' 12' ' ' VAL . 82.0 m -69.98 -43.78 70.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.037 -0.529 . . . . 10.0 110.628 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.91 -33.99 65.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.196 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -75.31 -45.94 36.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.54 -49.72 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.3 -37.95 76.07 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.093 0.405 . . . . 10.0 112.093 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.865 ' HA ' ' HE2' ' C' ' 69' ' ' LYS . 10.7 mmpt? -72.19 -34.31 68.32 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.912 0.338 . . . . 10.0 111.912 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -61.65 -35.71 78.72 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.816 0.341 . . . . 10.0 110.589 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 45.9 mt -73.32 -41.73 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.233 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -66.48 -34.78 78.7 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.476 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.26 -21.52 46.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.382 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.62 -43.74 46.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.742 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 52.6 mt -73.59 -41.52 55.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 tp -62.64 -30.73 49.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.384 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -85.05 -20.85 29.79 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.385 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -75.59 -12.57 60.24 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.583 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -52.8 -83.01 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.442 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.27 -0.871 . . . . 10.0 111.474 179.13 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.707 0.289 . . . . 10.0 111.125 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.59 140.64 29.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 19.9 p -111.66 109.0 55.9 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 10.0 111.237 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -72.36 153.74 55.92 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.637 2.225 . . . . 10.0 112.033 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -70.04 111.14 5.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.731 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m -143.91 145.54 32.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.583 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.65 172.32 28.03 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.628 -0.796 . . . . 10.0 112.447 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -66.97 -39.82 87.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.851 0.357 . . . . 10.0 111.23 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' D' ' 65' ' ' VAL . 34.8 tp -72.47 -32.37 66.19 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.911 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.14 -31.11 65.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.736 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -69.44 -36.45 76.64 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.96 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -67.05 -38.3 81.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.596 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -69.17 -36.8 77.76 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.902 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.64 58.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.056 -0.52 . . . . 10.0 111.112 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -67.04 -44.88 79.08 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.587 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.533 ' O ' HG22 ' D' ' 20' ' ' VAL . 30.9 m-85 -77.93 -30.06 50.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.319 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.9 -50.76 65.27 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.876 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.6 m -73.18 -24.03 60.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.069 0.462 . . . . 10.0 110.6 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.31 -41.94 76.71 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.82 -0.627 . . . . 10.0 113.137 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.533 HG22 ' O ' ' D' ' 16' ' ' PHE . 34.3 m -111.24 32.4 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.965 0.412 . . . . 10.0 111.242 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -58.3 -50.74 72.56 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.802 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -88.35 -9.76 51.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.517 -0.311 . . . . 10.0 111.421 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.458 HD13 HG12 ' D' ' 20' ' ' VAL . 1.5 tt -71.47 -40.41 70.29 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.203 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . 0.432 HE22 ' HD1' ' D' ' 54' ' ' TYR . 24.6 mm-40 -61.86 -37.09 83.21 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.028 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -71.35 -29.31 64.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.669 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -75.82 -26.34 57.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.514 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.455 HG23 ' O ' ' D' ' 23' ' ' LEU . 88.5 t -70.76 -43.32 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 120.784 0.326 . . . . 10.0 110.512 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -71.97 -32.51 67.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.076 -0.511 . . . . 10.0 111.185 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -71.56 -37.07 71.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.477 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.24 -28.24 63.03 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.221 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.529 HD11 HG23 ' B' ' 12' ' ' VAL . 20.4 tp -73.32 -37.48 66.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.08 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -70.69 -32.24 69.41 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.261 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -70.83 -40.62 72.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.054 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' D' ' 37' ' ' LYS . 5.4 tt -72.13 -23.94 61.39 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.99 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.98 -52.56 14.4 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.478 0.547 . . . . 10.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.92 17.18 24.64 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' D' ' 37' ' ' LYS . 39.5 mmtm -116.03 106.28 49.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 107.794 -1.187 . . . . 10.0 107.794 177.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -65.35 -77.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.766 2.311 . . . . 10.0 113.647 -178.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -97.2 122.02 39.75 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.665 -0.494 . . . . 10.0 109.665 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.765 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 0.0 OUTLIER -140.29 115.98 7.79 Favored Pre-proline 0 C--O 1.219 -0.518 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 -178.247 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.646 ' HD3' ' CZ ' ' A' ' 68' ' ' PHE . 37.1 Cg_endo -68.3 -45.29 2.8 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.892 2.395 . . . . 10.0 111.68 177.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.75 -55.92 4.93 Favored 'General case' 0 C--O 1.227 -0.082 0 CA-C-N 115.178 -0.919 . . . . 10.0 113.058 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.445 ' HB2' ' HB2' ' D' ' 40' ' ' ASP . 2.7 mm? -60.29 -33.12 71.9 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.88 1.067 . . . . 10.0 113.88 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.765 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.2 OUTLIER -73.74 -37.21 65.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 10.0 110.792 179.719 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . 0.648 ' HB1' ' CZ ' ' C' ' 58' ' ' ARG . . . -74.75 -37.77 62.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.703 -0.68 . . . . 10.0 111.802 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.95 -45.26 82.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.533 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 42.0 t80 -67.75 -33.21 74.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.097 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . 0.523 HE21 HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -63.93 -47.97 78.41 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.547 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 32.2 t -72.23 -41.4 66.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 10.0 112.33 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . 0.435 ' HA ' ' HG2' ' D' ' 53' ' ' GLU . 29.9 mmtm -70.9 -25.7 62.9 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.849 0.685 . . . . 10.0 112.849 -178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 13.4 tp -75.12 -39.23 60.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.688 0.28 . . . . 10.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' D' ' 55' ' ' ASN . 12.9 p -74.65 -34.31 62.69 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.3 0.482 . . . . 10.0 112.3 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' D' ' 50' ' ' LYS . 8.1 pt-20 -70.24 -34.75 73.24 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.706 -0.398 . . . . 10.0 110.311 178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . 0.432 ' HD1' HE22 ' D' ' 24' ' ' GLN . 19.3 t80 -60.78 -34.08 73.95 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' D' ' 52' ' ' SER . 11.4 t30 -61.78 -45.74 92.58 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.917 -1.038 . . . . 10.0 111.695 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' D' ' 56' ' ' LEU . 0.5 OUTLIER -68.79 -26.98 65.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.933 0.716 . . . . 10.0 112.933 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . 0.514 ' HD1' ' HB3' ' D' ' 16' ' ' PHE . 3.7 t80 -58.28 -46.22 86.47 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 178.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.17 -27.91 25.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.769 -0.651 . . . . 10.0 112.654 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' D' ' 56' ' ' LEU . 6.7 m-20 -73.21 -49.58 27.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.625 0.25 . . . . 10.0 111.438 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.72 -34.05 76.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.197 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . 0.419 ' O ' HG23 ' D' ' 65' ' ' VAL . 33.8 tt0 -69.08 -41.22 77.83 Favored 'General case' 0 CA--C 1.527 0.087 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.578 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 92.6 p -71.7 -30.62 65.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.995 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.491 ' O ' HG23 ' D' ' 67' ' ' VAL . 80.2 m-20 -69.14 -40.24 78.37 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.42 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 2.4 p -67.66 -37.51 82.49 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.629 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . 0.622 ' HA ' HD11 ' D' ' 9' ' ' LEU . 77.2 t -63.59 -36.66 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-O 121.022 0.439 . . . . 10.0 110.119 178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -71.24 -47.6 56.18 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.709 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.491 HG23 ' O ' ' D' ' 63' ' ' ASN . 61.5 t -65.64 -48.24 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 111.917 0.34 . . . . 10.0 111.917 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -57.61 -37.05 72.61 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.212 -0.449 . . . . 10.0 112.16 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.628 ' HE2' ' HA ' ' D' ' 69' ' ' LYS . 5.5 mmpt? -71.89 -35.37 69.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.661 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -64.36 -37.68 88.38 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.135 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 43.4 mt -72.69 -41.82 62.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.174 -0.467 . . . . 10.0 110.426 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.39 -40.26 93.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.681 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.25 -23.98 61.29 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.38 -0.373 . . . . 10.0 111.837 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.85 -41.93 74.21 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.329 -0.396 . . . . 10.0 111.045 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 36.9 mt -70.11 -37.32 71.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.586 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . 0.73 ' HA ' ' HD2' ' D' ' 79' ' ' PHE . 90.1 mt -63.2 -34.21 65.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.89 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -80.65 -19.06 46.18 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.995 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -84.62 -10.95 56.88 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.839 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . 0.73 ' HD2' ' HA ' ' D' ' 76' ' ' ILE . 5.1 m-85 -61.54 -85.38 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.983 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.192 -0.908 . . . . 10.0 111.603 179.78 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.838 0.352 . . . . 10.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.5 121.72 35.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -105.82 116.08 60.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.89 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.02 156.46 47.48 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.573 2.182 . . . . 10.0 112.158 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -66.79 113.43 4.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.017 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -148.33 153.08 38.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.044 0.45 . . . . 10.0 111.916 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 -179.32 40.58 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.592 -0.731 . . . . 10.0 111.522 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.419 ' O ' HG23 ' A' ' 12' ' ' VAL . 86.6 m-85 -67.31 -31.29 71.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.891 0.346 . . . . 10.0 110.478 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.68 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -70.61 -31.97 69.14 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.949 179.033 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.411 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 34.1 t70 -72.61 -29.41 63.46 Favored 'General case' 0 C--O 1.23 0.047 0 CA-C-N 115.784 -0.644 . . . . 10.0 109.659 178.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 32.9 t70 -74.54 -35.99 63.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.65 -0.704 . . . . 10.0 110.207 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 8' ' ' TYR . 71.2 t -70.12 -40.87 78.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.706 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 p -69.48 -38.1 77.53 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.8 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.74 -23.33 56.03 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.222 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 1.3 tpmt? -64.17 -49.77 70.77 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.598 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' O ' HG22 ' A' ' 20' ' ' VAL . 39.0 m-85 -73.65 -28.35 61.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.593 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -64.0 -45.22 89.95 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 112.721 0.638 . . . . 10.0 112.721 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -75.12 -27.26 59.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.715 0.293 . . . . 10.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.73 -36.65 83.08 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.179 -0.534 . . . . 10.0 111.96 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 16' ' ' PHE . 33.3 m -118.44 33.33 1.56 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.64 -56.71 16.82 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -81.44 -5.28 57.75 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.348 0.594 . . . . 10.0 110.558 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.52 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.1 tm? -70.17 -38.19 75.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.069 -0.968 . . . . 10.0 111.018 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -62.25 -35.73 79.86 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.754 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 m -69.78 -34.59 73.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.591 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.48 -35.48 77.6 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.845 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 23' ' ' LEU . 40.7 t -63.82 -45.33 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.761 0.315 . . . . 10.0 111.181 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 p -71.73 -32.26 67.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.952 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -68.01 -42.82 80.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.83 0.348 . . . . 10.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.8 -24.51 61.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.553 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.19 -41.57 73.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.114 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -70.97 -31.27 67.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.753 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 2.3 mptm? -68.02 -35.52 78.41 Favored 'General case' 0 C--N 1.334 -0.071 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.925 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.73 -25.94 60.44 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.943 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.16 -27.87 66.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.3 4.46 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.956 0.354 . . . . 10.0 111.956 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 13.3 mptt -115.05 125.16 29.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.624 -0.262 . . . . 10.0 111.676 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 17.3 Cg_exo -68.09 -66.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.725 2.284 . . . . 10.0 111.5 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.1 m -126.91 124.34 39.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.634 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.678 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -137.44 95.67 11.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.532 . . . . 10.0 111.252 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 31.9 Cg_endo -64.07 -37.71 41.09 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.739 2.293 . . . . 10.0 112.68 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.69 -42.22 51.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.919 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.678 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 3.8 mm? -72.48 -28.21 62.76 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.483 0.549 . . . . 10.0 112.483 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.99 -33.8 63.96 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.669 0.271 . . . . 10.0 111.066 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.73 -37.29 70.61 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.369 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.92 67.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.17 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -69.74 -36.44 75.84 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.884 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -65.06 -43.25 92.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.114 -0.493 . . . . 10.0 111.477 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.575 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 42.7 t -71.4 -40.19 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.333 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 23' ' ' LEU . 40.3 mmtm -75.46 -22.84 56.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.6 tp -73.81 -42.33 61.09 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.931 0.396 . . . . 10.0 110.362 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -69.21 -29.1 66.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.693 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.843 ' HG2' ' HA ' ' C' ' 38' ' ' PRO . 54.2 mt-10 -65.95 -38.47 88.71 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.247 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -67.02 -36.49 82.23 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.955 -0.566 . . . . 10.0 109.649 178.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -66.1 -45.37 81.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.284 -0.871 . . . . 10.0 110.343 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.02 -28.06 67.08 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.374 -0.375 . . . . 10.0 111.561 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 0.9 OUTLIER -67.92 -49.17 63.45 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.267 -0.272 . . . . 10.0 110.267 178.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.625 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -74.72 -36.68 62.67 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -179.439 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 86.7 m-20 -70.51 -45.0 66.45 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.505 0.557 . . . . 10.0 112.505 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.53 64.64 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.83 0.307 . . . . 10.0 111.83 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 57' ' ' TYR . 48.7 tt0 -68.58 -49.51 58.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.455 -0.339 . . . . 10.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.9 p -71.18 -23.97 62.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.97 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 59' ' ' ASN . 2.5 t-20 -71.65 -45.27 62.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.302 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -70.03 -38.82 75.97 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.48 -46.43 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.576 -0.284 . . . . 10.0 111.743 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.527 ' HG2' ' NE2' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -64.13 -42.74 96.7 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.992 0.738 . . . . 10.0 112.992 -178.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.598 ' CG1' HD21 ' C' ' 55' ' ' ASN . 19.5 t -73.14 -46.78 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 N-CA-C 114.606 1.336 . . . . 10.0 114.606 -178.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.68 ' CZ ' ' HB3' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -59.63 -22.76 62.3 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.423 -0.511 . . . . 10.0 110.391 179.406 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -73.05 -39.02 66.26 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.476 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -67.09 -34.53 77.84 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.951 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 68' ' ' PHE . 12.2 mt -65.01 -45.03 95.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 108.139 -1.059 . . . . 10.0 108.139 178.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -62.09 -37.06 83.61 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.773 -1.558 . . . . 10.0 112.302 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.51 -28.56 61.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.583 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.85 -48.34 38.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.069 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.642 HG23 ' OE1' ' D' ' 48' ' ' GLN . 6.9 mt -57.87 -37.69 61.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.734 -0.667 . . . . 10.0 110.148 179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 mt -60.46 -42.97 93.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.835 -1.075 . . . . 10.0 111.28 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -73.07 -28.31 62.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.59 -0.732 . . . . 10.0 112.5 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -69.15 -23.57 63.98 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.34 -0.985 . . . . 10.0 108.34 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.674 ' HB2' ' HG3' ' D' ' 48' ' ' GLN . 20.0 t80 -91.5 117.7 29.93 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.191 -0.913 . . . . 10.0 109.511 178.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.541 ' HG2' ' NZ ' ' C' ' 66' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.462 -0.78 . . . . 10.0 111.155 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.801 0.334 . . . . 10.0 111.083 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.8 123.38 34.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 24.8 p -107.62 112.88 62.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.268 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.85 152.8 63.99 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.737 2.292 . . . . 10.0 112.135 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -69.25 111.31 5.09 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.15 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -148.47 151.4 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.436 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.406 ' H ' ' HB3' ' B' ' 10' ' ' ASP . . . -168.93 -171.12 34.37 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.388 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.415 ' O ' HG23 ' B' ' 12' ' ' VAL . 82.5 m-85 -67.16 -36.23 81.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.658 0.266 . . . . 10.0 111.299 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.61 ' H ' HD23 ' B' ' 9' ' ' LEU . 1.4 pt? -73.15 -33.72 65.66 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.803 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.406 ' HB3' ' H ' ' B' ' 7' ' ' GLY . 35.4 t70 -71.12 -31.24 67.5 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.846 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' B' ' 15' ' ' LYS . 38.1 t70 -70.37 -36.37 74.1 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.529 -0.759 . . . . 10.0 110.337 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 8' ' ' TYR . 86.1 t -71.22 -32.81 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 116.189 -0.46 . . . . 10.0 110.554 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . 0.606 ' HA ' HE21 ' B' ' 61' ' ' GLN . 58.8 m -67.15 -46.41 74.14 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.213 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.76 -22.38 56.53 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.653 -0.703 . . . . 10.0 111.26 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -58.31 -54.99 40.73 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 115.959 -0.564 . . . . 10.0 111.172 -179.531 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.68 ' HE1' HD22 ' D' ' 34' ' ' LEU . 52.1 m-85 -77.41 -27.99 52.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.624 -0.716 . . . . 10.0 111.358 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.91 -52.2 52.02 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 114.073 1.138 . . . . 10.0 114.073 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 14.0 m -62.96 -23.66 67.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.31 0.576 . . . . 10.0 110.478 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.77 -43.95 16.6 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.576 -0.738 . . . . 10.0 114.595 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.542 HG22 ' O ' ' B' ' 16' ' ' PHE . 29.5 m -108.59 27.87 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.189 0.518 . . . . 10.0 110.955 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.35 -50.17 72.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.412 -0.813 . . . . 10.0 112.586 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -76.72 -23.78 53.08 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.464 0.913 . . . . 10.0 113.464 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.616 ' O ' HG23 ' B' ' 27' ' ' VAL 0.284 3.3 pp -71.96 -21.45 61.59 Favored 'General case' 0 C--O 1.226 -0.14 0 N-CA-C 113.138 0.792 . . . . 10.0 113.138 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -62.98 -37.81 88.61 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -73.6 -30.86 63.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.289 -0.869 . . . . 10.0 109.846 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.34 -31.23 69.54 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.96 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 23' ' ' LEU . 60.2 t -67.96 -48.01 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 CA-C-O 120.816 0.341 . . . . 10.0 110.395 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 22.5 p -67.96 -29.39 68.43 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.607 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -71.9 -43.5 65.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.911 0.386 . . . . 10.0 110.436 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.01 -24.25 61.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.491 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 45.1 tp -68.47 -43.26 77.35 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.854 -0.425 . . . . 10.0 109.854 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.86 -31.14 67.73 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.398 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -66.62 -33.35 75.47 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.878 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.14 -31.7 69.35 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.046 -0.525 . . . . 10.0 111.536 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.87 -15.55 60.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.832 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.96 0.11 19.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.75 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.3 mmtm -124.04 128.57 25.04 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.4 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 21.8 Cg_exo -66.8 -61.11 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.771 2.314 . . . . 10.0 110.89 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 30.9 m -131.41 124.39 30.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.915 -0.584 . . . . 10.0 109.855 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.691 ' HB2' ' HB2' ' B' ' 43' ' ' LEU . 0.7 OUTLIER -136.84 91.05 15.66 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.686 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.1 -35.7 51.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.574 2.183 . . . . 10.0 112.692 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.25 -42.58 54.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.628 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.691 ' HB2' ' HB2' ' B' ' 40' ' ' ASP . 4.0 mm? -72.63 -23.6 60.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.933 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.2 tp -74.53 -33.63 62.8 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.563 -0.289 . . . . 10.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.05 -35.41 66.72 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.507 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.72 66.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.861 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -72.43 -36.27 68.54 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.812 -0.631 . . . . 10.0 110.601 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.527 ' NE2' ' HG2' ' A' ' 66' ' ' LYS . 20.7 tt0 -65.12 -47.83 75.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 10.0 111.73 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 45.3 t -67.63 -38.82 84.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.427 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' B' ' 53' ' ' GLU . 42.9 mmtm -80.35 -22.77 41.09 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 40.1 tp -69.17 -44.93 71.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.336 0.589 . . . . 10.0 109.455 179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.0 p -71.92 -27.59 62.92 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.091 -0.958 . . . . 10.0 110.288 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 50' ' ' LYS . 19.8 mt-10 -64.7 -36.58 84.76 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.931 178.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -65.01 -38.64 91.61 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 108.646 -0.872 . . . . 10.0 108.646 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -67.4 -33.13 74.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.111 -0.95 . . . . 10.0 109.56 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.454 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.2 OUTLIER -63.59 -35.7 81.38 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.79 179.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . 0.573 ' O ' ' HB2' ' B' ' 61' ' ' GLN . 0.4 OUTLIER -70.49 -46.44 63.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.768 -0.651 . . . . 10.0 111.595 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' B' ' 58' ' ' ARG . 0.4 OUTLIER -75.61 -38.86 58.68 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -178.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -70.92 -53.2 15.89 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.88 71.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.536 0.198 . . . . 10.0 111.536 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.606 HE21 ' HA ' ' B' ' 13' ' ' SER . 40.3 tt0 -67.55 -45.11 76.6 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.572 -0.285 . . . . 10.0 110.973 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 54.2 p -70.6 -23.1 62.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.71 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.488 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 1.2 m120 -73.54 -49.45 26.42 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 116.632 -0.258 . . . . 10.0 111.028 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 8.5 p -69.93 -42.26 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.302 0.852 . . . . 10.0 113.302 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.61 -41.46 90.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 112.009 0.374 . . . . 10.0 112.009 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -70.71 -33.73 71.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.481 0.549 . . . . 10.0 112.481 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.609 ' O ' HG13 ' B' ' 71' ' ' ILE . 78.4 t -71.42 -52.67 24.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 N-CA-C 112.565 0.579 . . . . 10.0 112.565 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . 0.739 ' HA ' HD12 ' B' ' 71' ' ' ILE . 0.0 OUTLIER -58.7 -28.47 65.83 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 123.195 0.309 . . . . 10.0 111.142 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -67.88 -39.66 83.67 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.523 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.462 ' HB2' HH22 ' A' ' 80' ' ' ARG . 53.8 m-20 -76.99 -26.2 53.6 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.047 -0.524 . . . . 10.0 111.321 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' B' ' 68' ' ' PHE . 58.4 mt -68.22 -44.48 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.092 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -69.46 -35.73 75.91 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.793 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.58 -30.36 71.08 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.483 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.04 -37.81 64.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.225 -0.443 . . . . 10.0 110.904 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 50.5 mt -66.56 -36.11 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.808 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.39 -35.74 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.704 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -72.56 -33.84 67.07 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.061 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -71.6 -25.3 62.11 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.784 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -88.1 126.76 35.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.032 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.091 -0.957 . . . . 10.0 111.674 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.758 0.313 . . . . 10.0 111.106 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.03 125.89 40.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 19.0 p -114.89 114.62 43.95 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.825 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -77.28 160.75 32.49 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.857 2.371 . . . . 10.0 111.938 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 65.9 t90 -68.52 110.6 4.27 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.031 0.443 . . . . 10.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -146.71 152.92 39.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.793 -0.64 . . . . 10.0 110.655 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.27 -168.84 34.99 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.707 -0.759 . . . . 10.0 112.718 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -67.01 -37.57 84.41 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 111.751 0.278 . . . . 10.0 111.751 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' C' ' 68' ' ' PHE . 0.8 OUTLIER -72.05 -30.17 64.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.617 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.34 -28.47 63.07 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.486 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.37 -35.92 63.55 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.674 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.84 -41.1 84.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.059 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . 0.553 ' HA ' HE21 ' C' ' 61' ' ' GLN . 39.1 p -70.02 -38.48 75.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.101 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.01 -23.0 58.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.783 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -64.46 -47.48 78.86 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.016 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.621 ' O ' HG22 ' C' ' 20' ' ' VAL . 37.7 m-85 -75.69 -28.67 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.785 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.61 -43.64 96.31 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.317 0.488 . . . . 10.0 112.317 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -73.28 -28.63 62.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.885 0.374 . . . . 10.0 111.121 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.86 -37.76 56.76 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.921 -0.657 . . . . 10.0 112.382 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.621 HG22 ' O ' ' C' ' 16' ' ' PHE . 32.9 m -110.13 31.58 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 111.999 0.37 . . . . 10.0 111.999 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -61.09 -57.09 13.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.501 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -87.89 -1.71 58.15 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.169 0.509 . . . . 10.0 110.593 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.545 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.1 tm? -71.06 -40.74 71.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.93 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.94 -31.9 73.09 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.325 -0.398 . . . . 10.0 111.573 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 6.1 m -72.86 -32.72 65.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -72.37 -34.03 67.67 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.614 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.449 HG23 ' O ' ' C' ' 23' ' ' LEU . 57.6 t -65.77 -43.64 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 120.832 0.349 . . . . 10.0 111.059 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -73.22 -31.06 63.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.543 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . 0.449 ' O ' ' HD3' ' C' ' 33' ' ' LYS . 26.6 tt0 -68.12 -42.24 80.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.565 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.06 -24.82 61.58 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.257 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 tp -71.62 -42.03 68.16 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.209 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.65 -31.09 67.89 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.683 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.493 ' O ' ' HD3' ' C' ' 37' ' ' LYS . 2.3 mptm? -66.46 -42.91 86.88 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.646 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 48.4 tp -75.34 -25.04 57.45 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.552 0.575 . . . . 10.0 112.552 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.38 -37.77 26.16 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 113.455 0.909 . . . . 10.0 113.455 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.47 22.31 5.55 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.493 ' HD3' ' O ' ' C' ' 33' ' ' LYS . 4.1 mptp? -106.6 116.72 58.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.583 0.23 . . . . 10.0 111.6 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.843 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 49.8 Cg_exo -40.77 -73.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.501 3.467 . . . . 10.0 114.082 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . 0.425 ' H ' ' HB2' ' C' ' 38' ' ' PRO . 3.7 p -150.07 125.41 10.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.903 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.678 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 0.1 OUTLIER -131.46 98.76 17.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.204 -179.625 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.07 -34.36 58.48 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.921 2.414 . . . . 10.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.2 -41.84 48.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.431 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.678 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 3.9 mm? -72.48 -26.01 61.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.13 -0.486 . . . . 10.0 112.075 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 tp -74.49 -34.25 63.04 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.687 0.279 . . . . 10.0 110.721 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -37.96 68.85 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.191 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.97 -33.93 66.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.124 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -68.83 -40.73 79.29 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.323 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -65.06 -41.91 94.71 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 123.511 0.507 . . . . 10.0 112.125 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.4 t -67.38 -45.88 74.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.416 -0.356 . . . . 10.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -76.33 -17.39 59.44 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.027 -0.533 . . . . 10.0 112.119 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -43.21 57.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.791 0.329 . . . . 10.0 110.66 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 83.0 p -71.82 -28.56 63.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.067 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.67 -37.16 83.06 Favored 'General case' 0 N--CA 1.461 0.082 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -68.64 -38.4 80.45 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . 0.598 HD21 ' CG1' ' A' ' 67' ' ' VAL . 5.8 m-20 -62.01 -55.07 33.03 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.057 -0.974 . . . . 10.0 111.283 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' C' ' 56' ' ' LEU . 1.1 mm? -65.7 -28.01 68.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 10.0 112.214 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' C' ' 58' ' ' ARG . 0.6 OUTLIER -64.39 -50.98 65.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.591 0.234 . . . . 10.0 111.056 179.13 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.466 ' HE ' ' HA ' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -79.79 -29.98 40.48 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.059 0.762 . . . . 10.0 113.059 -178.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -72.81 -41.51 64.82 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.799 0.296 . . . . 10.0 111.799 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.68 -32.36 57.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.511 -0.313 . . . . 10.0 111.145 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.557 ' O ' HG23 ' C' ' 65' ' ' VAL . 55.0 tt0 -64.46 -47.11 80.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.971 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . 0.487 ' HB2' ' OE1' ' D' ' 48' ' ' GLN . 79.9 p -70.9 -27.26 63.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.605 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -67.66 -48.38 66.81 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.021 0.438 . . . . 10.0 110.723 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . 0.603 ' O ' ' HB3' ' C' ' 68' ' ' PHE . 12.9 m -66.43 -37.61 85.56 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.699 -0.682 . . . . 10.0 111.741 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.764 ' O ' ' HG2' ' C' ' 69' ' ' LYS . 90.9 t -65.06 -63.28 0.92 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 N-CA-C 112.479 0.548 . . . . 10.0 112.479 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . 0.541 ' NZ ' ' HG2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -63.22 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.291 1.219 . . . . 10.0 114.291 -177.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 43.3 t -72.57 -36.33 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . 0.603 ' HB3' ' O ' ' C' ' 64' ' ' THR . 0.0 OUTLIER -70.33 -21.47 62.91 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.992 0.425 . . . . 10.0 109.882 178.117 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.764 ' HG2' ' O ' ' C' ' 65' ' ' VAL . 66.1 mmtt -70.98 -36.06 72.35 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.307 178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -66.81 -32.24 73.39 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.681 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' C' ' 68' ' ' PHE . 55.2 mt -67.32 -44.99 86.9 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.261 178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -69.32 -31.77 70.44 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.426 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.89 -29.64 65.78 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.286 -0.415 . . . . 10.0 111.26 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.69 -35.53 60.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.83 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.96 -42.97 89.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.251 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . . . . . . . . . 1.1 pp -72.82 -22.36 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.49 -0.323 . . . . 10.0 111.532 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -76.53 -31.28 57.53 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.024 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -75.16 -24.4 57.92 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.899 -0.591 . . . . 10.0 109.945 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . 0.409 ' CE2' HG11 ' D' ' 67' ' ' VAL . 3.9 t80 -84.46 113.49 21.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.24 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.147 -0.93 . . . . 10.0 111.812 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mpp? . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.788 0.328 . . . . 10.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.69 125.8 36.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 23.2 p -107.44 113.5 61.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.195 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.69 154.49 64.04 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.671 2.247 . . . . 10.0 112.131 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -70.1 111.15 5.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m -149.33 152.7 36.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 10.0 110.768 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.43 -170.46 35.52 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.825 -0.702 . . . . 10.0 112.214 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . 0.401 ' O ' HG23 ' D' ' 12' ' ' VAL . 81.3 m-85 -66.97 -34.34 77.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.708 0.29 . . . . 10.0 111.32 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.632 ' H ' HD23 ' D' ' 9' ' ' LEU . 1.1 pt? -73.32 -32.08 64.38 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.013 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -72.02 -29.74 64.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.535 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.64 -39.65 61.97 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.949 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.401 HG23 ' O ' ' D' ' 8' ' ' TYR . 89.6 t -65.52 -43.26 94.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.834 0.349 . . . . 10.0 111.006 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 48.5 p -68.18 -34.59 76.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.064 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.17 -27.98 59.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.423 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -62.98 -46.31 88.29 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.858 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.629 ' O ' HG22 ' D' ' 20' ' ' VAL . 43.8 m-85 -77.52 -29.19 52.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.236 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.54 -51.15 61.99 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -75.06 -23.82 58.14 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.723 0.297 . . . . 10.0 111.458 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.15 82.12 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.81 -0.709 . . . . 10.0 111.949 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.672 ' HB ' ' HB3' ' D' ' 23' ' ' LEU . 34.2 m -116.01 33.46 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 121.06 0.457 . . . . 10.0 111.298 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -58.93 -57.05 14.76 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.674 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -80.71 -5.6 57.27 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.167 0.508 . . . . 10.0 110.849 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.672 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 1.8 tm? -71.26 -36.97 71.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.559 -0.746 . . . . 10.0 110.667 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -65.38 -33.06 75.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.16 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 7.2 m -71.84 -34.02 68.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.44 -31.17 68.24 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.102 -0.499 . . . . 10.0 111.679 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.451 HG23 ' O ' ' D' ' 23' ' ' LEU . 58.7 t -69.14 -43.55 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.284 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 22.3 p -72.12 -29.92 64.55 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.539 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' D' ' 33' ' ' LYS . 21.1 tt0 -71.94 -41.84 67.34 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.75 -28.72 67.06 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.665 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 14.1 tp -70.03 -38.44 75.87 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.361 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.67 -32.84 68.3 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.61 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' D' ' 37' ' ' LYS . 32.6 mmtp -65.71 -38.11 88.3 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.498 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.68 HD22 ' HE1' ' B' ' 16' ' ' PHE . 1.9 mt -65.65 -25.05 67.18 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.04 -51.44 42.25 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.01 18.05 21.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.973 0.731 . . . . 10.0 112.973 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' D' ' 33' ' ' LYS . 13.6 mptt -117.75 103.82 50.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.381 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.85 -68.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.072 2.514 . . . . 10.0 112.877 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . 0.403 ' HB2' HD22 ' A' ' 9' ' ' LEU . 15.0 m -111.19 128.58 55.96 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 110.389 -0.226 . . . . 10.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.862 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 51.9 m-20 -136.02 105.9 9.61 Favored Pre-proline 0 C--O 1.219 -0.545 0 N-CA-C 114.264 1.209 . . . . 10.0 114.264 -177.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' D' ' 40' ' ' ASP . 23.0 Cg_endo -65.55 -45.14 7.32 Favored 'Trans proline' 0 C--N 1.33 -0.397 0 C-N-CA 121.979 1.786 . . . . 10.0 111.347 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.42 -56.78 4.18 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 113.509 0.929 . . . . 10.0 113.509 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 1.6 mm? -62.56 -33.25 74.58 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 114.587 1.328 . . . . 10.0 114.587 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.862 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.0 OUTLIER -69.13 -42.45 75.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.954 0.353 . . . . 10.0 111.954 -179.355 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.43 -31.43 62.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.455 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.49 -40.96 69.86 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -68.68 -32.91 73.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.602 -0.726 . . . . 10.0 110.556 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . 0.674 ' HG3' ' HB2' ' A' ' 79' ' ' PHE . 18.8 tt0 -63.16 -42.89 99.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.252 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 42.0 t -75.35 -38.26 60.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.796 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . 0.509 ' HD2' ' CD2' ' D' ' 23' ' ' LEU . 34.7 mmtm -74.58 -31.49 62.08 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.384 0.883 . . . . 10.0 113.384 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.484 HD23 ' CZ ' ' A' ' 79' ' ' PHE . 42.1 tp -73.35 -42.03 62.75 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.652 0.263 . . . . 10.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 89.4 p -68.64 -28.6 67.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.425 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.1 -36.3 83.87 Favored 'General case' 0 C--N 1.338 0.075 0 N-CA-C 109.295 -0.632 . . . . 10.0 109.295 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -65.79 -34.05 77.27 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.001 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.12 -54.4 45.0 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.929 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' D' ' 56' ' ' LEU . 2.8 mm? -69.55 -26.88 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.55 0.944 . . . . 10.0 113.55 -179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . 0.465 ' O ' ' HB2' ' D' ' 61' ' ' GLN . 9.1 t80 -58.98 -45.88 89.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.533 -0.543 . . . . 10.0 109.533 177.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.85 -36.21 25.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.498 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -67.5 -51.51 50.19 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.347 0.499 . . . . 10.0 112.347 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.09 -33.38 73.42 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.887 0.329 . . . . 10.0 111.887 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' D' ' 57' ' ' TYR . 56.5 tt0 -63.49 -54.0 43.2 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.666 -0.243 . . . . 10.0 110.966 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 83.4 p -70.94 -22.1 62.26 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.264 0.468 . . . . 10.0 112.264 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.493 ' O ' HG23 ' D' ' 67' ' ' VAL . 17.9 t-20 -69.63 -52.52 25.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.077 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.68 -37.14 86.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.267 -0.424 . . . . 10.0 112.1 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . 0.533 ' O ' ' HB2' ' D' ' 69' ' ' LYS . 96.2 t -62.96 -37.9 80.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.569 -0.287 . . . . 10.0 110.829 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -34.19 63.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.375 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.493 HG23 ' O ' ' D' ' 63' ' ' ASN . 93.6 t -70.11 -52.79 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.586 -0.279 . . . . 10.0 111.728 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' D' ' 9' ' ' LEU . 0.2 OUTLIER -64.8 -23.89 67.38 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.781 0.324 . . . . 10.0 111.398 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' D' ' 65' ' ' VAL . 15.8 tptt -69.79 -35.36 74.8 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.846 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -77.49 -29.04 52.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.625 -0.716 . . . . 10.0 111.258 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' D' ' 68' ' ' PHE . 79.1 mt -67.14 -44.11 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.443 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.2 -36.36 81.56 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.176 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.63 67.27 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.488 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.91 -36.94 64.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.059 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 62.5 mt -68.07 -35.5 71.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.668 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 90.0 mt -69.87 -33.34 55.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.507 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -73.39 -31.03 63.66 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.251 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -73.76 -25.67 60.28 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.974 0.416 . . . . 10.0 110.503 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -88.86 125.46 34.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.741 -0.663 . . . . 10.0 110.566 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.152 -0.928 . . . . 10.0 111.556 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.769 0.318 . . . . 10.0 111.083 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.73 138.23 31.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.575 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.508 ' HB ' ' HB2' ' D' ' 36' ' ' ALA . 14.0 p -98.96 117.74 63.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.284 -0.417 . . . . 10.0 111.453 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.13 140.28 30.83 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.692 2.261 . . . . 10.0 112.243 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.648 ' CZ2' HD23 ' B' ' 23' ' ' LEU . 0.6 OUTLIER -73.79 111.48 8.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.065 -179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 p -149.89 154.33 38.16 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 112.441 0.534 . . . . 10.0 112.441 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.82 171.0 35.7 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 111.197 -0.761 . . . . 10.0 111.197 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -66.74 -46.03 76.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.159 0.48 . . . . 10.0 111.626 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.548 HD22 ' HE2' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -74.62 -29.56 61.34 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.713 0.292 . . . . 10.0 110.627 179.317 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.11 -35.74 69.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.02 0.438 . . . . 10.0 109.898 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.599 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 28.1 t70 -73.09 -41.78 63.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.424 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.415 HG23 HD22 ' C' ' 31' ' ' LEU . 2.8 p -66.19 -28.22 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 111.763 0.283 . . . . 10.0 111.763 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 m -71.61 -37.61 70.92 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.042 -0.725 . . . . 10.0 109.042 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.26 -23.5 59.14 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 115.419 -0.809 . . . . 10.0 110.147 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HZ1' ' HB3' ' C' ' 35' ' ' ALA . 5.2 mmmp? -63.35 -47.02 83.86 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.551 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' HD1' ' A' ' 57' ' ' TYR . 43.1 m-85 -73.62 -30.57 63.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.203 -0.908 . . . . 10.0 111.355 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -65.67 -51.81 56.5 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 112.895 0.702 . . . . 10.0 112.895 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.5 m -73.4 -23.35 60.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.109 0.481 . . . . 10.0 109.759 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.44 -52.11 42.66 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.35 -0.841 . . . . 10.0 113.241 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 23' ' ' LEU . 17.3 m -112.73 32.41 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.2 -55.45 31.95 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.479 -0.328 . . . . 10.0 111.555 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -72.57 -18.57 61.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.218 0.532 . . . . 10.0 110.454 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.49 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 3.0 tm? -70.91 -34.33 71.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.348 -0.842 . . . . 10.0 110.795 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 20' ' ' VAL . 87.0 mm-40 -61.04 -47.73 85.04 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.927 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -68.22 -26.39 65.68 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.567 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -70.91 -30.37 66.69 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.648 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 23' ' ' LEU . 67.7 t -69.5 -45.17 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-O 120.832 0.348 . . . . 10.0 110.257 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -73.36 -24.84 60.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.623 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -76.29 -39.46 54.14 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.889 0.376 . . . . 10.0 110.489 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.65 -24.49 58.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.406 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.67 -36.61 67.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.334 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.56 -37.59 74.01 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.806 -0.634 . . . . 10.0 110.651 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -71.13 -33.44 70.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.098 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -35.26 73.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.981 -0.554 . . . . 10.0 111.321 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.78 -25.4 61.16 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.93 0.12 57.48 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.89 0.33 . . . . 10.0 111.89 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 38.9 mmtm -125.74 142.7 42.85 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 34.1 Cg_exo -62.84 -65.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.648 2.232 . . . . 10.0 111.846 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 p -150.11 125.51 10.17 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.047 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.867 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 1.1 m-20 -128.13 114.84 20.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 20.7 Cg_endo -63.63 -34.72 62.24 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 122.306 2.004 . . . . 10.0 111.72 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.83 56.21 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.906 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.867 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . 4.1 mm? -72.01 -29.08 63.84 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 111.874 0.324 . . . . 10.0 111.874 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.0 -32.1 56.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.742 -0.208 . . . . 10.0 111.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.04 -37.03 64.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.915 0.388 . . . . 10.0 110.67 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.42 -39.95 64.63 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.856 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -69.87 -33.44 72.24 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.108 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -64.13 -43.18 96.08 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.698 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.0 t -70.98 -38.59 72.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.934 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 68.1 mmtt -74.05 -23.2 59.34 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.517 0.562 . . . . 10.0 112.517 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 51' ' ' LEU . 9.0 mt -74.44 -38.76 62.91 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.827 0.346 . . . . 10.0 110.665 179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.4 p -71.34 -29.61 65.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.84 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.509 ' HG2' ' HB3' ' C' ' 38' ' ' PRO . 49.9 mt-10 -68.76 -36.57 78.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.933 178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -69.98 -36.23 75.02 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.673 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 15.3 t30 -65.29 -35.25 80.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.221 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD11 HD11 ' C' ' 44' ' ' LEU . 0.7 OUTLIER -73.57 -31.5 63.65 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.502 179.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.477 ' HD1' ' HB3' ' A' ' 16' ' ' PHE . 2.4 t80 -66.54 -48.69 68.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.472 -0.331 . . . . 10.0 111.094 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 58' ' ' ARG . 0.9 OUTLIER -73.28 -28.02 61.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.686 -179.714 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -76.12 -44.8 36.84 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.484 -0.325 . . . . 10.0 111.798 -179.635 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.28 -31.28 71.49 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.824 0.345 . . . . 10.0 111.142 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -71.14 -44.8 64.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.796 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.9 p -71.39 -26.83 62.94 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.154 -0.475 . . . . 10.0 112.078 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -41.93 61.91 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.314 -0.403 . . . . 10.0 112.042 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.1 p -67.97 -38.59 82.91 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.153 0.427 . . . . 10.0 112.153 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.2 t -71.27 -28.96 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 10.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -72.99 -47.53 44.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.3 t -72.54 -39.43 61.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.92 0.391 . . . . 10.0 111.386 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.705 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 10.3 t80 -65.09 -45.3 85.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.705 -0.679 . . . . 10.0 111.707 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HA ' ' HD3' ' A' ' 69' ' ' LYS . 18.7 mmtp -67.95 -33.79 75.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.524 0.564 . . . . 10.0 112.524 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.86 -54.06 51.17 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.939 0.4 . . . . 10.0 111.038 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.583 HD11 ' HB2' ' C' ' 58' ' ' ARG . 0.0 OUTLIER -67.61 -37.45 78.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.791 -0.64 . . . . 10.0 112.179 -179.405 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.11 -36.05 83.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.231 -0.441 . . . . 10.0 110.756 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.28 75.55 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.51 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.15 81.34 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 10.0 110.718 178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.555 HG23 ' OE1' ' D' ' 48' ' ' GLN . 25.8 mt -66.45 -36.89 78.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.549 0.69 . . . . 10.0 109.496 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.644 HD12 HD22 ' D' ' 44' ' ' LEU . 0.9 OUTLIER -55.43 -47.15 78.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 114.508 -1.224 . . . . 10.0 112.389 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.406 ' N ' HG22 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -81.23 -10.26 59.63 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.652 -0.419 . . . . 10.0 112.059 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.428 HD21 ' HB2' ' C' ' 66' ' ' LYS . 12.7 t-20 -70.39 -24.0 62.87 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.12 -1.067 . . . . 10.0 108.12 176.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.799 ' HB3' ' HB3' ' B' ' 63' ' ' ASN . 25.8 m-85 -69.41 87.76 0.46 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.201 -1.363 . . . . 10.0 110.279 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' HG22 ' B' ' 67' ' ' VAL . 13.4 ptm180 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.069 -0.967 . . . . 10.0 111.957 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.733 0.302 . . . . 10.0 110.919 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.87 141.72 29.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.6 p -106.07 113.4 63.63 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.35 142.97 42.25 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.729 2.286 . . . . 10.0 112.407 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -70.85 111.55 6.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.13 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -141.28 149.35 41.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.947 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.51 167.01 28.53 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.98 -0.628 . . . . 10.0 112.188 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -66.96 -48.83 67.33 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.834 0.309 . . . . 10.0 111.834 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -75.09 -26.1 59.04 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.764 0.316 . . . . 10.0 111.058 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -72.53 -38.36 68.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.124 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.445 ' OD2' HD21 ' D' ' 31' ' ' LEU . 20.5 t70 -73.35 -36.25 66.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.839 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.9 ' HA ' ' HG2' ' B' ' 15' ' ' LYS . 0.9 OUTLIER -67.84 -28.1 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.028 0.442 . . . . 10.0 111.242 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 70.7 m -74.23 -36.84 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.221 -0.659 . . . . 10.0 109.221 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.33 -33.58 61.14 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.461 -0.79 . . . . 10.0 112.295 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.905 ' HZ3' ' HA ' ' D' ' 35' ' ' ALA . 0.0 OUTLIER -64.38 -39.0 93.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.729 0.299 . . . . 10.0 110.969 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.459 ' O ' HG22 ' B' ' 20' ' ' VAL . 23.0 m-85 -75.33 -29.95 60.13 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.373 178.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -65.81 -54.04 32.13 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.943 1.09 . . . . 10.0 113.943 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -71.67 -22.39 61.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.253 0.549 . . . . 10.0 110.5 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.55 -51.71 34.91 Favored Glycine 0 N--CA 1.439 -1.166 0 CA-C-N 115.24 -0.891 . . . . 10.0 115.083 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.488 ' O ' ' HG2' ' B' ' 24' ' ' GLN . 22.7 m -110.74 28.0 2.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 120.968 0.413 . . . . 10.0 111.781 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -63.6 -39.04 93.36 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.672 -0.695 . . . . 10.0 111.066 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -72.92 -35.95 67.15 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.648 HD23 ' CZ2' ' A' ' 5' ' ' TRP 0.277 2.2 pp -71.63 -21.77 61.78 Favored 'General case' 0 C--O 1.224 -0.25 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' B' ' 20' ' ' VAL . 86.2 mm-40 -58.86 -48.28 81.91 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.966 0.412 . . . . 10.0 110.267 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 11.2 t -72.99 -25.95 61.17 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.538 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.487 ' HB2' ' HA ' ' B' ' 23' ' ' LEU . 18.7 mm-40 -70.69 -29.42 65.71 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.444 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 23' ' ' LEU . 87.4 t -71.48 -45.62 67.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 31.3 p -71.39 -24.95 62.16 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.863 -0.608 . . . . 10.0 111.151 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.63 -38.45 54.65 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.231 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.88 -25.31 58.86 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.47 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.99 -36.02 66.99 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.846 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -69.36 -38.96 78.34 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.07 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -71.44 -26.4 62.71 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.065 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -40.21 69.07 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.552 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.74 -19.46 59.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.763 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.15 -10.46 49.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.409 -0.36 . . . . 10.0 111.774 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -122.19 148.03 50.95 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.205 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -65.33 -59.92 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.702 2.268 . . . . 10.0 111.426 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 14.9 p -157.97 125.82 5.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.702 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.434 ' HA ' ' HD2' ' B' ' 41' ' ' PRO . 0.5 OUTLIER -135.26 112.25 11.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.249 179.476 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' B' ' 40' ' ' ASP . 26.2 Cg_endo -63.61 -29.32 69.96 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.815 2.343 . . . . 10.0 112.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.0 -43.63 61.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.563 -0.29 . . . . 10.0 111.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.69 -26.83 61.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.594 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.81 -32.08 61.88 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.541 -0.3 . . . . 10.0 111.332 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.91 -36.6 64.74 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.361 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.68 -39.48 64.37 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.632 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -70.37 -32.68 70.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.855 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -61.91 -49.46 76.1 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.344 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 88.0 p -69.41 -37.81 77.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.277 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' B' ' 50' ' ' LYS . 67.7 mmtt -71.99 -27.36 62.7 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.238 0.458 . . . . 10.0 112.238 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.15 -39.86 71.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.174 0.511 . . . . 10.0 109.712 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -72.7 -28.41 62.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.349 -0.841 . . . . 10.0 110.437 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.88 -35.98 77.54 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.161 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -67.89 -34.57 76.92 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.336 -0.616 . . . . 10.0 109.336 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.724 ' O ' ' HB2' ' B' ' 59' ' ' ASN . 64.0 t30 -66.36 -28.83 68.96 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.364 -0.835 . . . . 10.0 109.749 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.477 ' HA ' HD22 ' B' ' 56' ' ' LEU . 0.6 OUTLIER -66.22 -43.32 87.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.673 179.659 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -63.26 -52.22 62.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.738 -0.664 . . . . 10.0 112.522 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 58' ' ' ARG . 1.0 OUTLIER -71.19 -23.97 62.14 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -178.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.724 ' HB2' ' O ' ' B' ' 55' ' ' ASN . 1.1 t-20 -78.97 -61.7 1.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.901 1.074 . . . . 10.0 113.901 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.12 -31.23 68.75 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.541 0.21 . . . . 10.0 110.543 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.08 -50.08 67.55 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.785 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 95.8 p -70.68 -27.47 64.04 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.967 0.413 . . . . 10.0 111.177 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.799 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 3.4 m120 -73.55 -39.14 64.94 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.785 -0.643 . . . . 10.0 112.401 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -71.01 -40.17 71.97 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.119 0.414 . . . . 10.0 112.119 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' B' ' 69' ' ' LYS . 98.3 t -65.22 -30.52 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.595 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -67.09 -45.13 78.2 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.579 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.423 HG22 ' C ' ' A' ' 80' ' ' ARG . 21.2 t -69.82 -44.63 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-O 120.787 0.327 . . . . 10.0 111.498 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -63.51 -50.71 68.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 10.0 112.372 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' B' ' 69' ' ' LYS . 0.2 OUTLIER -64.57 -33.9 77.0 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 113.192 0.812 . . . . 10.0 113.192 -179.1 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.87 -57.45 12.73 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.874 0.368 . . . . 10.0 111.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.41 ' H ' HG13 ' B' ' 71' ' ' ILE . 1.8 pp -71.33 -26.97 27.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 112.557 0.577 . . . . 10.0 112.557 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.467 ' HA ' HD12 ' B' ' 75' ' ' ILE . 32.7 t70 -69.64 -34.71 74.42 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.897 0.379 . . . . 10.0 110.262 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.36 68.18 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.493 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.4 -36.72 84.81 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.828 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' B' ' 72' ' ' ASP . 4.4 mt -71.8 -38.21 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.784 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.45 -41.19 90.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.73 -17.72 59.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.086 -0.507 . . . . 10.0 110.709 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -75.07 -27.04 59.79 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.713 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -74.74 97.98 3.36 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.684 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.124 -0.941 . . . . 10.0 111.53 -179.785 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 120.667 0.27 . . . . 10.0 111.066 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.22 137.37 32.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 22.0 p -102.48 118.24 59.16 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.74 157.19 44.03 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.836 2.357 . . . . 10.0 112.776 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -75.86 111.31 11.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.632 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -137.14 148.36 46.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 10.0 111.397 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.03 165.09 25.84 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.012 -0.613 . . . . 10.0 112.309 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -66.93 -44.84 79.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.693 0.282 . . . . 10.0 111.623 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' C' ' 10' ' ' ASP . 0.4 OUTLIER -74.91 -29.34 60.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.846 179.51 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . 0.431 ' N ' ' HG ' ' C' ' 9' ' ' LEU . 26.7 t70 -71.76 -33.42 68.62 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.504 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' C' ' 15' ' ' LYS . 26.8 t70 -72.74 -44.87 61.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.093 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.14 -27.95 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 112.057 0.392 . . . . 10.0 112.057 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m -69.84 -37.85 76.32 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.19 -23.98 61.35 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.612 -0.722 . . . . 10.0 110.803 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' C' ' 11' ' ' ASP . 3.2 mmmp? -65.29 -43.26 91.71 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.534 ' HB3' ' CD1' ' C' ' 57' ' ' TYR . 31.0 m-85 -77.39 -33.06 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.448 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -64.82 -45.07 87.76 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.533 0.568 . . . . 10.0 112.533 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.8 m -79.4 -25.75 42.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 10.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.29 -47.91 55.44 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.722 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.52 HG22 ' O ' ' C' ' 16' ' ' PHE . 30.4 m -109.19 31.84 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.16 -55.94 26.5 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.241 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -77.97 -14.1 59.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.574 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.517 ' HB3' ' HB ' ' C' ' 20' ' ' VAL . 3.3 tm? -71.14 -35.2 71.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.49 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' C' ' 20' ' ' VAL . 87.7 mm-40 -61.01 -47.66 85.43 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.755 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -68.13 -26.01 65.58 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.412 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -71.44 -29.31 64.72 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.461 -0.336 . . . . 10.0 111.564 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.406 HG23 ' O ' ' C' ' 23' ' ' LEU . 96.1 t -70.67 -45.64 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.934 0.397 . . . . 10.0 110.304 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 28.4 p -72.75 -25.78 61.32 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.507 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -75.38 -38.71 59.81 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.547 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.25 -24.24 60.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.506 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . 0.415 HD22 HG23 ' A' ' 12' ' ' VAL . 8.9 mt -72.1 -36.53 69.51 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.069 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.53 -39.39 81.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.299 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -71.59 -40.62 69.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.784 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.12 -52.78 53.33 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.772 0.656 . . . . 10.0 112.772 -178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . 0.608 ' HB3' ' HZ1' ' A' ' 15' ' ' LYS . . . -68.97 -19.34 64.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -178.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.45 12.41 31.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.338 0.589 . . . . 10.0 111.843 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' C' ' 38' ' ' PRO . 40.2 mmtm -135.15 138.46 29.25 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 115.127 -0.942 . . . . 10.0 109.444 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.509 ' HB3' ' HG2' ' A' ' 53' ' ' GLU . 60.2 Cg_exo -54.39 -70.99 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 123.182 2.588 . . . . 10.0 113.688 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 22.1 m -141.4 125.73 17.56 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.733 0.301 . . . . 10.0 111.366 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.746 ' HB2' ' HB2' ' C' ' 43' ' ' LEU . 2.4 m-20 -132.13 104.4 13.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.159 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 25.9 Cg_endo -64.18 -33.14 61.78 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.227 1.951 . . . . 10.0 112.244 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.33 -37.25 60.84 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.418 -0.355 . . . . 10.0 111.911 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.746 ' HB2' ' HB2' ' C' ' 40' ' ' ASP . 4.1 mm? -72.45 -28.46 62.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.76 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 56' ' ' LEU . 18.2 mt -74.4 -32.97 62.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.417 -0.356 . . . . 10.0 111.628 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.95 -37.98 64.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.043 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.51 66.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.044 -0.526 . . . . 10.0 111.187 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -71.67 -33.33 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 10.0 111.273 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' C' ' 48' ' ' GLN . 6.0 tt0 -62.9 -47.94 81.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.77 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 39.3 t -67.96 -39.07 83.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.354 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -73.85 -22.2 59.84 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.39 -40.88 66.89 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.748 0.308 . . . . 10.0 110.742 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 52.5 p -74.05 -28.42 61.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 10.0 111.017 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.79 -36.61 83.69 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -73.64 -33.03 64.32 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.192 -0.913 . . . . 10.0 108.679 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' C' ' 59' ' ' ASN . 7.6 t30 -65.23 -43.04 92.7 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.203 -0.908 . . . . 10.0 111.025 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.509 HD13 ' HA ' ' C' ' 56' ' ' LEU . 0.6 OUTLIER -74.16 -28.61 61.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.599 0.592 . . . . 10.0 112.599 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' C' ' 16' ' ' PHE . 0.5 OUTLIER -67.04 -49.73 64.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.719 0.295 . . . . 10.0 111.265 179.762 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.583 ' HB2' HD11 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -72.38 -33.49 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 10.0 111.773 -179.219 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' C' ' 55' ' ' ASN . 0.7 OUTLIER -70.31 -33.73 71.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.35 . . . . 10.0 110.79 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.3 -29.93 65.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.206 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.451 ' O ' HG23 ' C' ' 65' ' ' VAL . 11.0 tt0 -72.34 -45.11 61.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . 0.509 ' HA ' HE22 ' D' ' 48' ' ' GLN . 58.5 p -70.0 -24.89 63.37 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.706 0.289 . . . . 10.0 110.692 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.53 -46.86 29.67 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.901 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 15.6 p -65.1 -38.46 90.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.94 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . 0.451 HG23 ' O ' ' C' ' 61' ' ' GLN . 64.4 t -69.77 -28.49 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 120.856 0.36 . . . . 10.0 110.603 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . 0.428 ' HB2' HD21 ' A' ' 78' ' ' ASN . 21.2 tptp -75.6 -47.96 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.875 0.694 . . . . 10.0 112.875 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 18.2 m -72.57 -38.57 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 113.193 0.812 . . . . 10.0 113.193 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -68.61 -40.47 80.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.812 0.339 . . . . 10.0 110.924 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.536 ' HD3' ' HA ' ' C' ' 69' ' ' LYS . 26.1 mmtp -72.64 -33.52 66.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.92 0.711 . . . . 10.0 112.92 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.98 -50.93 71.69 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.83 0.348 . . . . 10.0 110.892 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . . . . . . . . . 28.6 pt -74.9 -26.01 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.872 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -71.95 -33.65 68.36 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.801 0.334 . . . . 10.0 110.615 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.38 71.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.365 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.14 87.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.811 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.73 -38.83 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.822 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . 0.547 ' HA ' ' HD2' ' C' ' 79' ' ' PHE . 1.1 mp -64.94 -39.02 84.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.455 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -71.71 -19.11 62.1 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.818 0.342 . . . . 10.0 110.393 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -73.81 -29.26 62.06 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.026 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . 0.547 ' HD2' ' HA ' ' C' ' 76' ' ' ILE . 49.5 m-85 -67.78 97.3 0.63 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.6 178.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.353 -0.832 . . . . 10.0 111.143 -179.436 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.74 0.305 . . . . 10.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.67 140.89 29.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.191 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 20.5 p -104.68 114.25 64.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.002 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.8 145.01 44.95 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.667 2.245 . . . . 10.0 112.262 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -72.23 111.3 7.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.939 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -141.29 148.17 39.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.908 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.69 165.76 28.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.86 -0.686 . . . . 10.0 112.288 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -66.92 -47.44 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.676 0.25 . . . . 10.0 111.676 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.473 ' H ' HD23 ' D' ' 9' ' ' LEU . 2.1 pt? -74.8 -26.74 59.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.248 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.15 -38.73 69.12 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.544 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.523 ' O ' ' HG2' ' D' ' 15' ' ' LYS . 30.8 t70 -70.45 -41.07 73.31 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.808 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.1 t -60.09 -39.84 81.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.252 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 67.7 m -66.04 -41.44 90.87 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.614 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.8 -24.65 63.52 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.557 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' D' ' 11' ' ' ASP . 4.6 mmmp? -68.57 -38.93 81.13 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.79 0.329 . . . . 10.0 110.536 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -77.71 -33.8 52.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.898 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -64.89 -49.97 68.39 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.131 -0.486 . . . . 10.0 112.09 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -78.46 -27.41 46.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.436 -0.347 . . . . 10.0 111.592 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.99 -47.37 89.3 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.125 -0.559 . . . . 10.0 113.078 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' D' ' 23' ' ' LEU . 28.8 m -115.55 32.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.986 0.422 . . . . 10.0 111.735 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -59.55 -45.19 92.55 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.434 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -75.38 -19.46 59.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.235 -0.438 . . . . 10.0 111.471 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.552 ' HB3' ' HB ' ' D' ' 20' ' ' VAL . 1.7 tt -71.71 -32.91 68.31 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.143 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.75 -45.62 91.66 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.32 -0.4 . . . . 10.0 111.314 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -72.89 -26.04 61.29 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.242 -0.436 . . . . 10.0 111.307 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -71.78 -30.61 65.73 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 10.0 111.461 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.431 HG23 ' O ' ' D' ' 23' ' ' LEU . 79.2 t -72.16 -43.25 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.394 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 35.3 p -73.39 -24.78 60.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.198 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -76.96 -36.58 56.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.672 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.94 -29.79 58.46 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.573 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.445 HD21 ' OD2' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -71.75 -35.89 70.26 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.475 179.069 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.28 -38.9 71.8 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.825 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -66.86 -47.57 71.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.986 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -57.97 -24.36 57.72 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.675 0.61 . . . . 10.0 112.577 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . 0.905 ' HA ' ' HZ3' ' B' ' 15' ' ' LYS . . . -49.66 -52.9 27.54 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.242 0.46 . . . . 10.0 112.242 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . 0.508 ' HB2' ' HB ' ' A' ' 3' ' ' THR 0.352 . . -99.73 26.2 6.46 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 115.972 1.842 . . . . 10.0 115.972 -178.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -131.02 110.77 15.6 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.203 -1.036 . . . . 10.0 108.203 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.502 ' HG3' ' CZ3' ' A' ' 5' ' ' TRP . 18.7 Cg_endo -57.32 -74.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.944 2.429 . . . . 10.0 113.634 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . 0.427 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 2.3 m -107.58 133.4 52.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.769 ' O ' ' HB2' ' D' ' 44' ' ' LEU . 7.8 m-20 -135.69 110.18 10.27 Favored Pre-proline 0 N--CA 1.448 -0.557 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.705 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 42.7 Cg_endo -68.6 -45.59 2.33 Favored 'Trans proline' 0 C--N 1.328 -0.539 0 C-N-CA 122.74 2.293 . . . . 10.0 110.689 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.489 ' HA ' ' CZ ' ' C' ' 58' ' ' ARG . . . -78.1 -52.37 8.84 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.812 -1.086 . . . . 10.0 112.436 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 3.7 mm? -64.12 -28.82 70.03 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 -178.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.769 ' HB2' ' O ' ' D' ' 40' ' ' ASP . 0.1 OUTLIER -81.8 -35.9 29.0 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 179.564 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.27 -34.54 65.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.876 0.37 . . . . 10.0 110.455 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.36 -37.83 65.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.172 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' D' ' 51' ' ' LEU . 12.9 t80 -70.72 -32.75 70.06 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.116 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . 0.555 ' OE1' HG23 ' A' ' 75' ' ' ILE . 7.5 tt0 -63.31 -40.74 98.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.269 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 23.9 t -75.03 -40.03 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.417 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -74.51 -24.61 59.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.521 ' HB2' ' O ' ' D' ' 47' ' ' TYR . 0.5 OUTLIER -74.32 -37.73 63.5 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.017 0.437 . . . . 10.0 109.908 179.123 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 91.6 p -73.4 -28.89 62.25 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.356 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.0 -36.5 72.49 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.341 -0.391 . . . . 10.0 110.235 178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -72.39 -28.59 63.09 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 108.975 -0.75 . . . . 10.0 108.975 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -59.88 -48.85 80.02 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 114.42 -1.264 . . . . 10.0 110.968 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -27.48 59.22 Favored 'General case' 0 C--O 1.224 -0.268 0 N-CA-C 113.607 0.966 . . . . 10.0 113.607 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -57.18 -44.46 83.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 10.0 110.395 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -81.34 -29.73 34.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.652 -0.704 . . . . 10.0 111.775 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -75.79 -43.0 48.47 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.32 0.489 . . . . 10.0 112.32 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.45 70.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.541 -0.299 . . . . 10.0 110.671 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -69.72 -40.51 76.21 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.361 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 91.2 p -71.12 -25.69 62.69 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.927 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.479 ' O ' HG23 ' D' ' 67' ' ' VAL . 0.8 OUTLIER -76.31 -42.5 44.95 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.986 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 21.0 p -62.1 -38.04 87.36 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.646 0.26 . . . . 10.0 111.599 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.64 -29.91 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.366 -0.379 . . . . 10.0 110.768 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -70.9 -41.25 71.52 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.474 -0.33 . . . . 10.0 111.686 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.479 HG23 ' O ' ' D' ' 63' ' ' ASN . 24.7 t -74.12 -46.85 43.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.573 -0.285 . . . . 10.0 111.586 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -63.38 -49.7 72.8 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.879 0.696 . . . . 10.0 112.879 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' D' ' 69' ' ' LYS . 29.7 mmtp -64.53 -33.78 76.7 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 113.115 0.783 . . . . 10.0 113.115 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.19 -54.51 43.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.592 0.234 . . . . 10.0 111.532 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . . . . . . . . . 32.6 pt -70.19 -29.28 38.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.487 -0.324 . . . . 10.0 111.842 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -71.46 -34.36 70.16 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.62 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.94 76.81 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.807 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.92 -39.23 90.34 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.748 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 42.0 mt -70.95 -36.39 63.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.912 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.39 -40.79 90.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.088 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.88 -18.72 60.38 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.038 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -71.79 -30.25 65.33 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.167 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -70.09 99.74 1.52 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.494 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.179 -0.915 . . . . 10.0 111.459 -179.83 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.484 1.269 0 CA-C-O 120.82 0.343 . . . . 10.0 110.739 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.09 100.59 11.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.3 p -127.65 130.87 23.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.158 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.4 153.23 61.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.513 2.142 . . . . 10.0 111.839 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.421 ' HZ3' ' HB2' ' A' ' 10' ' ' ASP . 4.1 t90 -78.56 119.61 22.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.393 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -130.9 143.17 50.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.28 160.31 30.8 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.316 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -66.95 -33.05 74.73 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.728 0.299 . . . . 10.0 111.009 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -66.79 -31.69 72.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.878 179.186 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.421 ' HB2' ' HZ3' ' A' ' 5' ' ' TRP . 17.3 t70 -72.3 -33.15 67.18 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.947 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.23 -37.3 80.68 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.653 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.13 -38.1 79.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.879 0.371 . . . . 10.0 110.688 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.525 ' HB3' HE21 ' A' ' 61' ' ' GLN . 60.3 m -66.12 -37.89 86.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.319 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.1 57.63 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.469 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -64.09 -51.81 62.25 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.798 0.332 . . . . 10.0 110.781 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.517 ' O ' HG22 ' A' ' 20' ' ' VAL . 20.7 m-85 -69.16 -29.36 67.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.396 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.42 -39.15 91.77 Favored 'General case' 0 C--O 1.227 -0.118 0 CA-C-N 115.747 -0.661 . . . . 10.0 112.493 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.0 m -68.78 -32.43 72.16 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 120.646 0.26 . . . . 10.0 110.669 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.78 -30.48 74.55 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 111.649 -0.581 . . . . 10.0 111.649 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.588 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 28.0 m -120.15 33.38 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.21 -56.16 25.67 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.42 0.896 . . . . 10.0 113.42 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -81.2 -0.24 39.62 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.395 0.617 . . . . 10.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.588 ' HB3' ' O ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -71.17 -36.67 72.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.837 -179.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -56.33 -46.94 79.67 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.027 0.38 . . . . 10.0 112.027 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -72.3 -26.48 61.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.268 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.23 -32.02 69.7 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.994 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 23' ' ' LEU . 99.3 t -68.33 -46.47 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.365 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.6 p -68.0 -30.68 69.99 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.908 -0.587 . . . . 10.0 112.031 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -76.07 -41.13 51.52 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.169 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.37 -32.0 71.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.978 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.07 -36.66 66.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.668 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.71 -39.0 80.68 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.522 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -71.2 -40.2 71.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.406 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.57 -28.64 67.95 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.368 -0.378 . . . . 10.0 111.601 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.69 -22.78 63.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.846 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.84 -2.42 18.46 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 37' ' ' LYS . 25.8 mmtp -107.95 123.5 37.54 Favored Pre-proline 0 N--CA 1.462 0.174 0 CA-C-N 116.609 -0.269 . . . . 10.0 111.427 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -61.9 -64.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.918 2.412 . . . . 10.0 111.818 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 p -140.45 123.73 16.8 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.936 0.398 . . . . 10.0 111.064 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.834 ' HB3' ' HB2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -138.27 112.85 8.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.457 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 40' ' ' ASP . 20.2 Cg_endo -62.48 -38.85 49.4 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.413 2.076 . . . . 10.0 112.491 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.35 -41.22 57.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.71 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.834 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 4.2 mm? -72.12 -25.25 61.65 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.243 0.461 . . . . 10.0 112.243 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.4 tp -74.77 -38.97 62.04 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.921 0.391 . . . . 10.0 110.372 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.9 -31.59 63.18 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.294 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.81 65.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.817 -0.629 . . . . 10.0 111.009 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -69.51 -35.11 75.2 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.307 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -69.05 -45.86 69.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.329 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.618 ' O ' ' HG3' ' A' ' 53' ' ' GLU . 41.5 t -68.87 -41.83 77.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.403 . . . . 10.0 111.378 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -69.49 -29.55 67.22 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.91 0.708 . . . . 10.0 112.91 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -73.33 -29.7 62.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.951 0.405 . . . . 10.0 110.33 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.8 m -73.84 -30.03 62.45 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.56 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.661 ' HG2' ' HA ' ' C' ' 38' ' ' PRO . 34.9 mt-10 -70.56 -36.83 73.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.623 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.05 -35.12 77.72 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.539 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 27.4 t30 -64.53 -46.62 82.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.181 -0.918 . . . . 10.0 110.462 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.98 -28.46 65.55 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.314 0.487 . . . . 10.0 112.314 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.99 -53.37 47.25 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.711 -0.222 . . . . 10.0 111.111 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -29.03 59.36 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.292 0.479 . . . . 10.0 112.292 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.539 ' HB2' ' O ' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -69.91 -45.18 68.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.588 -0.278 . . . . 10.0 111.202 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.09 -30.33 65.0 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.112 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.525 HE21 ' HB3' ' A' ' 13' ' ' SER . 61.5 tt0 -70.99 -42.97 68.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.9 p -71.72 -26.89 62.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.893 0.378 . . . . 10.0 110.86 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -74.63 -36.03 62.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.758 -0.656 . . . . 10.0 110.729 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.8 p -70.45 -42.59 71.29 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.79 -31.0 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.8 0.333 . . . . 10.0 110.933 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -75.38 -48.08 24.58 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.321 0.86 . . . . 10.0 113.321 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 71' ' ' ILE . 28.1 t -75.37 -41.1 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.761 ' CE1' ' HD3' ' D' ' 41' ' ' PRO . 77.5 t80 -62.37 -39.47 93.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.297 0.57 . . . . 10.0 111.407 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.557 ' HG3' ' OG ' ' B' ' 52' ' ' SER . 0.3 OUTLIER -66.72 -35.82 81.01 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.551 179.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -66.76 -27.86 67.94 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.035 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 68' ' ' PHE . 21.0 mt -60.85 -54.49 34.63 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.546 0.689 . . . . 10.0 109.994 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.673 ' O ' HG23 ' A' ' 76' ' ' ILE . 20.4 m-20 -64.36 -30.49 71.54 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.372 -1.286 . . . . 10.0 112.699 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.589 ' O ' HG12 ' A' ' 76' ' ' ILE . . . -59.26 -40.68 86.79 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.091 0.472 . . . . 10.0 111.539 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.737 ' O ' ' HG2' ' A' ' 77' ' ' GLN . . . -75.56 -28.06 58.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.929 0.395 . . . . 10.0 111.127 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.554 ' HA ' ' ND2' ' A' ' 78' ' ' ASN . 8.2 mt -68.43 -34.1 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.075 0.464 . . . . 10.0 110.636 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.767 HD13 HD21 ' B' ' 55' ' ' ASN . 9.8 pt -74.96 -24.94 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.482 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.737 ' HG2' ' O ' ' A' ' 74' ' ' ALA . 2.6 pt20 -68.9 -27.82 66.12 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.554 ' ND2' ' HA ' ' A' ' 75' ' ' ILE . 6.8 m-20 -73.93 -33.68 64.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.519 -0.764 . . . . 10.0 109.299 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.3 m-30 -66.21 143.8 57.02 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.647 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.139 -0.934 . . . . 10.0 111.498 179.111 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.667 0.27 . . . . 10.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.82 100.75 11.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.039 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 17.5 p -126.73 130.48 23.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.181 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -70.31 147.02 58.38 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.679 2.253 . . . . 10.0 112.043 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . 0.526 ' HZ3' ' HB2' ' B' ' 10' ' ' ASP . 5.6 t90 -76.56 119.7 20.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.378 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 44.3 m -129.43 145.24 51.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.538 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.7 163.28 34.42 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.464 -0.874 . . . . 10.0 112.966 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -67.07 -35.63 80.24 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.841 0.353 . . . . 10.0 111.012 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.601 ' H ' HD23 ' B' ' 9' ' ' LEU . 0.8 OUTLIER -69.52 -31.69 70.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.121 179.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.526 ' HB2' ' HZ3' ' B' ' 5' ' ' TRP . 21.3 t70 -72.78 -33.2 66.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.123 -0.489 . . . . 10.0 110.672 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.73 -40.06 80.07 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.919 -0.582 . . . . 10.0 111.421 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.5 -28.02 30.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.935 0.398 . . . . 10.0 111.511 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 72.7 m -70.41 -37.18 74.42 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 108.955 -0.757 . . . . 10.0 108.955 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.43 -22.57 57.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.359 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -59.07 -55.14 38.87 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.872 -0.604 . . . . 10.0 110.925 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.526 ' O ' HG22 ' B' ' 20' ' ' VAL . 10.2 m-85 -72.8 -28.71 62.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.973 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.69 -48.81 70.78 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.576 0.954 . . . . 10.0 113.576 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.7 m -62.22 -27.37 68.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.857 0.36 . . . . 10.0 111.659 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.35 -31.84 58.68 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.749 -0.738 . . . . 10.0 112.249 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.553 ' HB ' HD23 ' B' ' 23' ' ' LEU . 27.0 m -115.74 31.91 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.055 0.455 . . . . 10.0 110.364 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -59.17 -54.7 43.97 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.57 -0.741 . . . . 10.0 112.476 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -78.25 -2.84 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.533 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.553 HD23 ' HB ' ' B' ' 20' ' ' VAL . 23.2 tp -72.32 -32.93 66.98 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.804 0.668 . . . . 10.0 112.804 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -55.83 -48.19 75.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.824 0.345 . . . . 10.0 111.395 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -73.62 -26.58 60.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.068 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -72.01 -37.75 69.72 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.702 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 p -71.78 -32.61 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.688 -0.233 . . . . 10.0 111.496 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 32.0 p -77.08 -29.57 55.06 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.755 0.312 . . . . 10.0 110.709 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -77.13 -36.54 55.33 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.362 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.02 -31.48 70.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.631 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 52.1 tp -73.1 -36.16 66.73 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.239 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.02 -38.78 76.01 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.571 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -71.41 -33.94 69.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.967 -0.56 . . . . 10.0 111.202 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' B' ' 34' ' ' LEU . 0.5 OUTLIER -70.98 -31.03 67.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.958 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.49 -16.34 60.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.167 -0.469 . . . . 10.0 111.412 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.59 -6.98 20.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.361 -0.381 . . . . 10.0 111.309 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 42.1 mmtm -106.61 129.5 24.35 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.379 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 37' ' ' LYS . 39.1 Cg_exo -63.22 -54.98 0.85 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.684 2.256 . . . . 10.0 110.705 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.9 p -154.57 124.07 6.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.611 -0.722 . . . . 10.0 109.974 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.693 ' HB3' ' HB2' ' B' ' 43' ' ' LEU . 3.4 t70 -137.18 109.49 8.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.647 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.63 -35.6 79.95 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.714 2.276 . . . . 10.0 112.513 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.63 -44.43 56.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 10.0 111.304 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.693 ' HB2' ' HB3' ' B' ' 40' ' ' ASP . 3.6 mm? -72.33 -20.66 61.45 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -75.73 -44.72 40.43 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.902 0.382 . . . . 10.0 110.492 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.03 -28.4 62.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.79 -0.641 . . . . 10.0 109.827 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.39 -46.6 47.88 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.803 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -65.82 -36.06 82.44 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.137 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -66.44 -42.09 88.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.163 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' B' ' 53' ' ' GLU . 1.5 t -67.71 -43.5 79.91 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-N 115.648 -0.705 . . . . 10.0 111.094 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -70.14 -28.57 65.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.514 . . . . 10.0 112.091 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.1 -29.79 67.95 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.395 -0.594 . . . . 10.0 109.395 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.557 ' OG ' ' HG3' ' A' ' 69' ' ' LYS . 18.3 m -65.21 -53.19 48.27 Favored 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 115.41 -0.813 . . . . 10.0 110.403 178.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . 0.486 ' OE1' ' HB2' ' D' ' 38' ' ' PRO . 0.7 OUTLIER -54.19 -35.21 62.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.731 -1.122 . . . . 10.0 111.707 -178.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -67.81 -41.7 82.68 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.767 HD21 HD13 ' A' ' 76' ' ' ILE . 8.2 t30 -69.92 -27.54 64.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.701 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' B' ' 56' ' ' LEU . 0.9 OUTLIER -72.88 -34.49 66.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.233 179.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -54.11 9.47 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.258 0.836 . . . . 10.0 113.258 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -36.79 79.59 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 114.224 1.194 . . . . 10.0 114.224 -177.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.524 ' OD1' ' HB ' ' A' ' 76' ' ' ILE . 27.6 t-20 -74.29 -50.32 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.099 0.778 . . . . 10.0 113.099 -178.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.45 70.64 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -68.01 -40.51 82.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.167 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 37.0 m -70.67 -30.03 66.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.967 0.413 . . . . 10.0 110.142 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -72.6 -40.96 66.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.569 -0.741 . . . . 10.0 110.741 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 28.6 p -68.2 -41.38 81.44 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 69.5 t -72.44 -29.55 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.72 0.295 . . . . 10.0 111.281 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -75.66 -48.79 20.61 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.657 ' O ' HG13 ' B' ' 71' ' ' ILE . 49.1 t -69.75 -46.51 74.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 112.021 0.378 . . . . 10.0 112.021 -179.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' B' ' 71' ' ' ILE . 51.1 t80 -59.07 -33.11 70.42 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.209 0.318 . . . . 10.0 111.153 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -67.74 -35.8 79.4 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.981 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -74.52 -27.07 60.38 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.363 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.657 HG13 ' O ' ' B' ' 67' ' ' VAL . 25.4 mt -66.84 -48.54 79.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-O 121.02 0.438 . . . . 10.0 110.125 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.538 ' O ' HG13 ' B' ' 76' ' ' ILE . 10.9 m-20 -69.94 -28.57 65.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.626 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.23 86.58 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.952 0.406 . . . . 10.0 110.703 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 77' ' ' GLN . . . -70.55 -35.71 73.26 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.126 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.626 ' HA ' ' ND2' ' B' ' 78' ' ' ASN . 62.0 mt -64.35 -32.07 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.11 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 72' ' ' ASP . 54.8 mt -69.27 -38.32 77.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.711 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' B' ' 74' ' ' ALA . 3.5 pt20 -68.48 -21.81 64.6 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.246 -0.433 . . . . 10.0 111.487 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.626 ' ND2' ' HA ' ' B' ' 75' ' ' ILE . 61.4 m-20 -74.69 -39.45 61.97 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.165 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -71.29 146.92 48.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.24 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.233 -0.889 . . . . 10.0 111.277 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 111.646 0.239 . . . . 10.0 111.646 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.39 100.33 8.4 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.797 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -136.03 131.39 18.84 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.006 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.06 168.61 23.74 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.082 2.521 . . . . 10.0 112.634 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.36 118.71 20.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.85 -0.613 . . . . 10.0 110.578 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -130.03 136.6 49.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.234 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.62 164.3 33.88 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.598 -0.81 . . . . 10.0 112.978 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -67.24 -33.97 76.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.809 0.338 . . . . 10.0 111.313 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -29.7 69.65 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.501 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -72.09 -32.23 66.82 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.871 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.41 -36.84 74.28 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.476 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.45 HG11 HG21 ' C' ' 64' ' ' THR . 26.9 t -68.72 -39.7 80.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.885 0.374 . . . . 10.0 110.942 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' SER . . . . . 0.627 ' HB3' HE21 ' C' ' 61' ' ' GLN . 63.0 m -66.39 -39.75 89.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.589 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.97 -22.85 58.31 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.797 -0.638 . . . . 10.0 111.391 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -47.4 79.89 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.783 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.505 ' O ' HG22 ' C' ' 20' ' ' VAL . 26.6 m-85 -72.31 -30.32 64.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.363 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -65.12 -38.47 90.76 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.611 -0.722 . . . . 10.0 112.634 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -63.34 -36.75 84.75 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.72 0.295 . . . . 10.0 111.388 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.5 -25.59 73.83 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.911 -0.661 . . . . 10.0 112.491 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . 0.52 ' O ' ' HB3' ' C' ' 23' ' ' LEU . 32.0 m -116.55 31.99 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.715 0.293 . . . . 10.0 111.305 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.81 -56.08 25.48 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.611 0.597 . . . . 10.0 112.611 -179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -84.49 1.54 45.17 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.316 0.579 . . . . 10.0 110.558 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.52 ' HB3' ' O ' ' C' ' 20' ' ' VAL . 1.2 tm? -71.76 -40.24 69.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.189 -0.914 . . . . 10.0 111.427 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -56.45 -44.9 80.94 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -72.8 -26.61 61.57 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.561 -0.291 . . . . 10.0 111.069 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.73 -32.58 69.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.898 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 23' ' ' LEU . 89.2 t -68.83 -42.97 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.48 179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' THR . . . . . . . . . . . . . 36.7 p -71.43 -29.23 64.65 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.772 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.43 -40.86 57.13 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.774 0.321 . . . . 10.0 110.566 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.35 69.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.476 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 50.4 tp -72.99 -36.76 67.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.446 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.19 -36.5 81.88 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.436 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' C' ' 37' ' ' LYS . 64.0 mttp -70.96 -50.23 36.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.52 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.409 ' O ' HD13 ' C' ' 34' ' ' LEU . 1.5 tm? -68.08 -25.52 65.37 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.437 0.532 . . . . 10.0 112.437 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.01 -34.43 59.85 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.395 0.517 . . . . 10.0 112.395 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.45 24.27 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' C' ' 33' ' ' LYS . 0.2 OUTLIER -105.04 117.5 58.46 Favored Pre-proline 0 N--CA 1.463 0.208 0 N-CA-C 112.251 0.463 . . . . 10.0 112.251 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . 0.661 ' HA ' ' HG2' ' A' ' 53' ' ' GLU . 96.9 Cg_exo -47.83 -72.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.322 3.348 . . . . 10.0 113.495 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 51.5 p -146.18 124.3 12.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.25 0.548 . . . . 10.0 111.661 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . 0.818 ' HB3' ' HB2' ' C' ' 43' ' ' LEU . 0.4 OUTLIER -137.85 103.7 8.29 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.44 179.121 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' C' ' 40' ' ' ASP . 19.0 Cg_endo -61.92 -35.99 74.61 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.447 2.098 . . . . 10.0 112.133 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.38 -40.77 57.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.4 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.818 ' HB2' ' HB3' ' C' ' 40' ' ' ASP . 4.2 mm? -72.7 -25.33 61.19 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.546 0.573 . . . . 10.0 112.546 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 45.0 tp -71.98 -40.88 68.27 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.804 0.335 . . . . 10.0 110.803 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.91 -30.67 62.71 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.496 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.74 63.95 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.156 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -69.05 -36.79 78.06 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -69.17 -42.3 76.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.105 -0.498 . . . . 10.0 111.409 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 44.9 t -72.06 -38.81 69.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.445 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -71.05 -28.41 64.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.999 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' C' ' 51' ' ' LEU . 11.5 tp -74.71 -29.91 61.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.896 0.379 . . . . 10.0 110.125 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 54.4 m -74.39 -29.65 61.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.142 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -68.45 -36.64 79.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.534 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -68.76 -29.4 67.78 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' C' ' 59' ' ' ASN . 58.8 t30 -66.47 -49.13 67.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.015 -0.993 . . . . 10.0 111.714 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.95 -28.29 65.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.762 0.652 . . . . 10.0 112.762 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -49.93 68.15 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.888 0.375 . . . . 10.0 110.999 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' ARG . . . . . 0.616 HH12 ' HB3' ' C' ' 62' ' ' SER . 0.0 OUTLIER -78.84 -26.92 44.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.934 -0.576 . . . . 10.0 112.018 -178.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ASN . . . . . 0.5 HD22 ' HA ' ' C' ' 59' ' ' ASN . 0.2 OUTLIER -73.53 -42.58 61.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.313 . . . . 10.0 111.835 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.6 -30.23 61.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.692 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.627 HE21 ' HB3' ' C' ' 13' ' ' SER . 55.8 tt0 -68.85 -39.82 79.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.072 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' SER . . . . . 0.616 ' HB3' HH12 ' C' ' 58' ' ' ARG . 34.4 p -71.93 -30.43 65.32 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.577 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -72.15 -40.13 68.26 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.883 0.373 . . . . 10.0 110.611 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' C' ' 68' ' ' PHE . 20.4 p -69.94 -40.66 75.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.279 0.844 . . . . 10.0 113.279 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -65.84 -44.83 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -78.52 -48.15 15.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.701 1.0 . . . . 10.0 113.701 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . 0.413 ' O ' HG13 ' C' ' 71' ' ' ILE . 39.5 t -68.79 -40.87 81.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 113.392 0.886 . . . . 10.0 113.392 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' C' ' 64' ' ' THR . 50.3 t80 -65.51 -42.39 92.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.646 0.26 . . . . 10.0 111.165 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.723 ' NZ ' HD23 ' D' ' 56' ' ' LEU . 7.5 mtpm? -67.29 -32.7 73.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.39 . . . . 10.0 112.044 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.21 -29.64 70.94 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' C' ' 68' ' ' PHE . 76.6 mt -66.72 -43.95 89.78 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.584 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' C' ' 75' ' ' ILE . 29.9 m-20 -68.0 -25.02 65.19 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 115.828 -0.624 . . . . 10.0 111.221 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.19 -33.93 74.11 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.555 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.76 -29.36 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.672 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' C' ' 72' ' ' ASP . 74.6 mt -69.74 -44.93 78.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.355 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' ILE . . . . . 0.486 ' HA ' ' CD2' ' C' ' 79' ' ' PHE . 1.6 pp -69.34 -24.6 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 120.979 0.419 . . . . 10.0 110.351 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -69.01 -30.56 68.98 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.583 -0.735 . . . . 10.0 109.64 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -73.79 -30.31 62.68 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.257 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' PHE . . . . . 0.486 ' CD2' ' HA ' ' C' ' 76' ' ' ILE . 19.9 m-85 -69.13 145.8 53.04 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.981 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.166 -0.921 . . . . 10.0 111.496 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tmt? . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.689 0.281 . . . . 10.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.68 100.94 11.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.921 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 16.4 p -127.57 131.59 23.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.73 149.42 60.7 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.64 2.227 . . . . 10.0 111.963 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . 0.503 ' HZ3' ' HB2' ' D' ' 10' ' ' ASP . 9.1 t90 -78.3 121.75 24.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.17 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -133.57 147.85 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.621 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.66 165.84 37.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.625 -0.797 . . . . 10.0 112.783 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -67.03 -38.64 86.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.699 0.285 . . . . 10.0 111.411 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.653 ' H ' HD23 ' D' ' 9' ' ' LEU . 1.0 OUTLIER -67.44 -28.02 67.53 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.767 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' ASP . . . . . 0.503 ' HB2' ' HZ3' ' D' ' 5' ' ' TRP . 18.7 t70 -72.33 -33.93 67.69 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.764 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.97 -36.51 75.27 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.301 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.66 -39.25 80.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 120.903 0.382 . . . . 10.0 110.616 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' SER . . . . . 0.637 ' HB3' HE21 ' D' ' 61' ' ' GLN . 62.2 m -66.68 -38.74 87.41 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.601 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.9 -22.99 58.31 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.767 -0.651 . . . . 10.0 111.256 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' D' ' 15' ' ' LYS . 9.3 tppt? -64.33 -47.67 78.52 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.674 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . 0.451 ' O ' HG22 ' D' ' 20' ' ' VAL . 25.0 m-85 -74.17 -31.96 62.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.633 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -65.35 -40.51 93.69 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.941 -0.572 . . . . 10.0 112.153 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 59.0 m -68.88 -34.4 75.38 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.799 0.333 . . . . 10.0 111.225 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.15 90.65 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.97 -0.633 . . . . 10.0 112.683 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' VAL . . . . . 0.451 HG22 ' O ' ' D' ' 16' ' ' PHE . 30.3 m -117.21 33.66 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.003 0.43 . . . . 10.0 111.038 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -58.7 -46.97 86.12 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.539 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -82.56 -3.54 56.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 10.0 111.839 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . 0.473 ' O ' HG23 ' D' ' 27' ' ' VAL . 1.9 tt -72.19 -33.5 67.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.872 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -58.3 -48.03 81.78 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.21 0.319 . . . . 10.0 111.757 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 9.4 t -72.76 -26.69 61.64 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.35 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -71.15 -33.13 69.76 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.945 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 23' ' ' LEU . 72.6 t -68.7 -43.87 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.142 0 CA-C-N 116.529 -0.305 . . . . 10.0 110.615 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' THR . . . . . . . . . . . . . 26.1 p -70.15 -30.04 67.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.698 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -76.65 -41.88 44.08 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.571 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.98 -28.8 65.83 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.899 0.38 . . . . 10.0 110.768 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 37.9 tp -72.94 -37.24 67.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.51 179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.46 -37.19 74.25 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.591 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' D' ' 37' ' ' LYS . 62.6 mttp -70.92 -35.18 72.16 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.99 -0.55 . . . . 10.0 111.552 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' D' ' 34' ' ' LEU . 0.3 OUTLIER -71.03 -25.0 62.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.444 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -31.25 65.36 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.924 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.0 8.96 12.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 10.0 111.848 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' D' ' 33' ' ' LYS . 1.2 mptm? -118.03 101.24 51.84 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.685 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' PRO . . . . . 0.486 ' HB2' ' OE1' ' B' ' 53' ' ' GLU . 22.1 Cg_exo -65.96 -73.01 0.02 OUTLIER 'Trans proline' 0 CA--C 1.53 0.29 0 C-N-CA 122.994 2.463 . . . . 10.0 113.442 -178.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 5.4 p -110.78 118.87 37.32 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.556 -0.458 . . . . 10.0 111.62 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . 0.672 ' HB3' ' HB2' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -144.63 134.19 11.51 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 113.647 0.98 . . . . 10.0 113.647 179.652 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.761 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 40.5 Cg_endo -69.88 -48.45 0.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.496 2.131 . . . . 10.0 111.865 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.02 25.14 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.186 -0.915 . . . . 10.0 112.871 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' D' ' 40' ' ' ASP . 1.8 mm? -65.4 -30.56 71.38 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 112.124 0.416 . . . . 10.0 112.124 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.567 HD13 ' H ' ' D' ' 40' ' ' ASP . 5.3 mp -80.55 -29.96 37.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.909 0.385 . . . . 10.0 110.665 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.11 82.64 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.925 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' D' ' 50' ' ' LYS . . . -63.13 -39.12 93.74 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.073 -0.967 . . . . 10.0 111.421 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -71.28 -33.9 70.18 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -68.99 -49.12 60.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.441 -0.345 . . . . 10.0 111.759 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 14.8 t -74.46 -49.75 21.09 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.523 0.934 . . . . 10.0 113.523 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' D' ' 46' ' ' ALA . 12.6 mptt -64.76 -37.0 86.12 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 114.183 1.179 . . . . 10.0 114.183 -178.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.77 -44.51 73.51 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.769 0.319 . . . . 10.0 111.055 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 99.6 p -72.61 -29.21 63.29 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.437 -0.347 . . . . 10.0 111.237 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.13 -36.93 85.64 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 54' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -65.03 -34.68 79.02 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.912 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 55' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' D' ' 59' ' ' ASN . 19.4 t30 -61.55 -45.03 95.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.585 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 56' ' ' LEU . . . . . 0.723 HD23 ' NZ ' ' C' ' 69' ' ' LYS . 2.5 mm? -73.58 -27.29 61.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.71 0.633 . . . . 10.0 112.71 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 57' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -64.53 -46.83 81.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.703 0.287 . . . . 10.0 110.948 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -32.5 33.56 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.484 0.549 . . . . 10.0 112.484 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 59' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' D' ' 55' ' ' ASN . 0.1 OUTLIER -70.11 -44.74 68.36 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.011 0.374 . . . . 10.0 112.011 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.35 -30.06 63.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.137 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 61' ' ' GLN . . . . . 0.637 HE21 ' HB3' ' D' ' 13' ' ' SER . 57.3 tt0 -68.2 -45.63 72.85 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.486 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 62' ' ' SER . . . . . . . . . . . . . 84.8 p -70.86 -24.42 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.823 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . 0.46 ' O ' HG23 ' D' ' 67' ' ' VAL . 66.8 t30 -73.84 -40.87 63.0 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.861 -0.608 . . . . 10.0 111.303 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 22.7 p -67.54 -37.8 83.24 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -69.99 -29.94 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-O 120.827 0.346 . . . . 10.0 110.682 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -74.55 -45.43 45.56 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.612 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.46 HG23 ' O ' ' D' ' 63' ' ' ASN . 54.2 t -69.8 -48.76 62.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 112.178 0.436 . . . . 10.0 112.178 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 68' ' ' PHE . . . . . 0.423 ' HA ' HD12 ' D' ' 71' ' ' ILE . 54.5 t80 -60.59 -39.9 89.79 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -65.52 -35.86 82.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.594 -0.276 . . . . 10.0 111.647 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -69.32 -28.74 66.51 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.562 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 71' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' D' ' 68' ' ' PHE . 72.1 mt -67.85 -43.46 86.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 72' ' ' ASP . . . . . 0.545 ' O ' HG13 ' D' ' 76' ' ' ILE . 41.8 m-20 -66.29 -28.98 69.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.396 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.54 89.82 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.398 -0.365 . . . . 10.0 111.009 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.83 -31.22 70.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.676 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' D' ' 72' ' ' ASP . 55.4 mt -69.09 -31.7 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.597 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 76' ' ' ILE . . . . . 0.545 HG13 ' O ' ' D' ' 72' ' ' ASP . 50.1 mt -68.47 -33.45 60.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 116.268 -0.423 . . . . 10.0 109.943 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 77' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -63.42 -36.95 85.42 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.253 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 78' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -68.5 -31.07 70.07 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.663 -0.699 . . . . 10.0 111.467 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 79' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -77.19 148.29 35.97 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.307 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.179 -0.915 . . . . 10.0 111.467 179.86 . . . . . . . . 0 0 . 1 stop_ save_